Roberts et al Dataset by ibt12826

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									Name                                  Common Synonyms




                                                                                                              O
                                                                                                                       O
2-Phenylethyl-3-methylbutanoate       Butanoic acid, 3-methyl-, 2-phenylethyl ester
                                                                                                 Cl



                                                                                                                  +
                                                                                                                       O
                                                                                                                  N
                                                                                                                  -
                                                                                                                  O
2-Chloro-6-nitrotoluene               1-Chloro-2-methyl-3-nitrobenzene


                                                                                                  O


                                                                                                  O
Allyl acetate                         Acetic acid, 2-propen-1-yl ester



                                                                                                                                   OH
                                                                                                                               O




2-(Hexadecyloxy)ethanol               1-(2-Hydroxyethoxy)hexadecane; ethanol, 2-(hexadecyloxy)-.
                                                                                                              -
                                                                                             O        +
                                                                                                          O
                                                                                                  N




                                                                                                                  NH2
                                                                                                  F
2-Fluoro-5-nitroaniline

                                                                                        O




                                                                                                                           O

6-Methoxynaphthalene-2-carbaldehyde   6-Methoxy-2-naphthaldehyde
                                                                                                                                   OH
                                                                                 HO
Tetradecane-1,14-diol                 1,14-Tetradecanediol
                                                                                                                  HO


                                                                                                              N
                                                                                                          N


                                                                                             OH
2,2-Azobis-phenol                     Phenol, 2,2'-(1,2-diazenediyl)bis-


                                                                                         N
                                                                                                                  N
                                                                                                                  H
2-Ethylaminoethyldimethylamine        1,2-Ethanediamine, N2-ethyl-N1,N1-dimethyl-
                                                                                                  OH




                                                                                                                  +
                                                                                                                       O
                                                                                                                  N
                                                                                                      +           -
                                                                                             -
                                                                                                  N               O
                                                                                             O            O
                                                                                                 OH




                                                                                             N
                                                                                                                         N
                                                                                                                         H


                                                                                                     OH




                                                                                                                         +
                                                                                                                             O
                                                                                                                     N
                                                                                                         +               -
                                                                                                 -
                                                                                                     N               O
                                                                                                 O           O
3,4-Dinitrophenol                      Phenol, 3,4-dinitro-; 3,4-DNP




                                                                                                                     Br
2-Bromoethylbenzene                    1-Bromo-2-phenylethane; 2-phenethyl bromide; 2-phenylethyl bromide; phenethyl bromid

                                                                                                 O                                Cl
                                                                                     Cl                                      O
1,2-Bis(2-chloroethoxy)-ethane         1,2-Bis(chloroethoxy)ethane; 1,8-dichloro-3,6-dioxaoctane; Ethane, 1,2-bis(2-chloroethox
                                       3-Chloropropyl iodide; propane, 1-chloro-
                                       3-iodo-                                               I            Cl
1-Chloro-3-iodopropane




                                                                                                                     OH
Cyclooctanol

                                                                                                     O                OH




2,6-Dimethylbenzoic acid               Benzoic acid, 2,6-dimethyl-
                                                                                                                      -
                                                                                                     OH              O
                                                                                                                      +
                                                                                                                     N
                                                                                                                             O



                                                                                                     NH2
4-Amino-2-nitrophenol                  2-Nitro-4-aminophenol; 3-nitro-4-hydroxyaniline; 4-hydroxy-3-nitroaniline; phenol, 4-amin
                                                                                                 O
                                                                                                                      Cl




                                                                                                                      OH
                                                                                                         OH
2-Chloro-3',4'-dihydroxyacetophenone   Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-



                                                                                                                             OH
3-Methyl-1-butanol                     2-Methyl-4-butanol; 3-methylbutan-1-ol; 3-methylbutanol
                                       1,2-Benzenedicarboxylic acid, 1-butyl 2-
                                       (phenylmethyl) ester; 1,2-
                                       benzenedicarboxylic acid, butyl
                                       phenylmethyl ester; benzyl butyl                                          O


                                       phthalate; butyl benzyl phthalate;                                        O
                                                                                                             O
                                       phthalic acid, benzyl butyl ester                             O

Butylbenzylphthalate
                                                                                                              O




                                                                                                                      Cl
                                                                                                         O



                                                                                                 HO              O
                                                                                                                     O


                                                                                                                     O
                                                                                                                 O
                                                                                                         O




                                                                                                                     O




                                                                                                                         Cl
                                                                                                             O
3-Chloro-p-anisaldehyde                3-Chloroanisaldehyde
                                                                                                     HO              O




                                                                                                                          OH
                                                                                                                 +
                                                                                                         -
                                                                                                             N
                                                                                                     O               O
3-Hydroxy-4-nitrobenzoic acid




                                                                                                     O                   Cl
2,2-Dimethyl propanoyl chloride        Pivaloyl chloride; propanoyl chloride, 2,2-dimethyl-; trimethylacetyl chloride

                                                                                                                         O

                                                                                              Br                                 O
Methyl 3-bromopropanoate               Propanoic acid, 3-bromo, methyl ester; 3-bromopropanoic acid methyl ester; methyl 3-br
                                                                                                     OH




                                                                                                                     N


3-(Diethylamino)-phenol                N,N-Diethyl-m-aminophenol; phenol, 3-(diethylamino)-; 3-hydroxy-N,N-diethylaniline; N,N


                                                                                            O                                        OH

                                                                                                   OH
                                                                                                             O                       OH
(S-)-2-Hydroxy-2-methylsuccinic acid

                                                                                                     HO                      O




Cyclohex-3-ene-1-carboxylic acid
                                                                                                             Cl




                                                                                                                     OH
p-Chlorophenethylic alcohol            Benzeneethanol, 4-chloro-


Tridecane

                                                                                                     O

                                                                                                Cl                               Cl


                                                                                                                     O




                                                                                                     O                           O
                                                                                                     OH




                                                                                         O

                                                                                    Cl                            Cl
3-Chloropropionyl chloride   3-Chloropropanoyl chloride; propanoyl chloride, 3-chloro-; propionyl chloride, 3-chloro-; b

                                                                                                 O




                                                                                         O                        O

1,3,5-Trimethoxy-benzene     Benzene, 1,3,5-trimethoxy-; O,O,O-1,3,5-trimethylresorcinol; phloroglucinol trimethyl ethe

                                                                                                 O
                                                                               HO                                          OH
2,2'-Oxybisethanol           1,5-Dihydroxy-3-oxapentane; 2,2'-dihydroxydiethyl ether; 2,2'-dihydroxyethyl ether; dihyd

                                                                                     O           O
                                                                                                      O

                                                                                                              O


Dibutyl phthalate            1,2-Benzenedicarboxylic acid, dibutyl ester; 1,2-benzenedicarboxylic acid, 1,2-dibutyl est



                                                                                                          N
                                                                                             N

Dipiperidinomethane          1,1'-Methylenedipiperidine; piperidine, 1,1'-methylenebis-; methylenebispiperidine



                                                                                                 N



N,N-dibutylaniline           Benzenamine, N,N-dibutyl-

                                                                                                                           O

                                                                                                                  O


3-Phenylpropyl acetate       (3-Acetoxypropyl)benzene; 1-Acetoxy-3-phenylpropane; 1-Propanol, 3-phenyl-, acetate;

                                                                                                                   OH




Cyclopentanepropanol         3-Cyclopentylpropan-1-ol

                                                                                                                       O
                                                                                             O
                                                                                                                               O
2-Butoxyethyl acetate        Ethanol, 2-butoxy-, 1-acetate; ethanol, 2-butoxy-, acetate; 2-butoxyethanol acetate; aceti


                                                                                                              O
                                                                                                              +
                                                                                                          N
                                                                                                                   -
                                                                                                              O
                                                                                                 O


                                                                                                                       N



                                                                                                 O
                                                                                                                         O
                                                                                                        O
                                                                                                                             O




                                                                                                                     O
                                                                                                                 +
                                                                                                                N
                                                                                                                     -
                                                                                                                     O
                                                                                                            O
1-Methoxy-4-methyl-2-nitro-benzene   Methyl 2-nitro-p-tolyl ether; anisole, 4-methyl-2-nitro-; benzene, 1-methoxy-4-methyl-2-nit

                                                                                                                         N



                                                                                                            O

3-Phenoxypropiononitrile

                                                                                                                                 N

Octanenitrile                        1-Cyanoheptane; caprylonitrile; caprylnitrile; octanonitrile

                                                                                              O

                                                                                          O




2-Propenyl octanoate                 Octanoic acid, 2-propen-1-yl ester


                                                                                     HN
                                                                                      2




4-Pentylaniline                      4-Pentylbenzeneamine


                                                                                                            N




N,N'-Diethylaniline                  Phenyldiethylamine

                                                                                                    O           OH




3-Cyclopentene-1-carboxylic acid     Cyclopent-3-ene-1-carboxylic acid; 3-cyclopentenecarboxylic acid


n.a. = not applicable
CHEMISTRY                                               SMILES                                  E
                                                                                       CAS Number INECS Number




                              O
                                       O
1                                                        c1c(cccc1)CCOC(=O)CC(C)C 140-26-1         205-406-3
                 Cl



                                  +
                                       O
                                  N
                                  -
                                  O
2                                                        c1ccc(c(c1Cl)C)[N+]([O-])=O   83-42-1     201-475-9


                  O


                  O
3                                                                CC(=O)OCC=C           591-87-7    209-734-8



                                                   OH
                                               O




4                                                       CCCCCCCCCCCCCCCCOCCO 2136-71-2             218-373-5
                              -
             O        +
                          O
                  N




                                  NH2
                  F
5                                                        c1(cc(ccc1F)[N+]([O-])=O)N    369-36-8    206-720-3

         O




                                           O

6                                                        c1(ccc2c(c1)ccc(c2)OC)C=O     3453-33-6   222-377-2
                                                   OH
    HO
7                                                         OCCCCCCCCCCCCCCO             19812-64-7 243-341-2
                                  HO


                              N
                          N


             OH
8                                                       c1ccc(c(c1)\N=N\c1ccccc1O)O 2050-14-8      218-082-3


         N
                                  N
                                  H
9                                                                CN(CCNCC)C            123-83-1    204-656-0
                  OH




                                  +
                                       O
                                  N
                      +           -
             -
                  N               O
             O            O
              OH




          N
                                      N
                                      H


                  OH




                                      +
                                          O
                                  N
                      +               -
              -
                  N               O
              O           O
10                                                                                            577-71-9
                                                          c1cc(c(cc1O)[N+](=O)[O-])[N+]([O-])=O          209-415-3




                                  Br
11                                                                  c1cc(ccc1)CCBr           103-63-9    203-130-8

              O                                    Cl
     Cl                                   O
12                                                                  ClCCOCCOCCCl             112-26-5    203-952-7

          I                                   Cl
13                                                                       ICCCCl              6940-76-7   230-088-8




                                  OH
14                                                                 C1CCCC(CCC1)O             696-71-9    211-800-6

                  O                OH




15                                                               c1(cccc(c1C(O)=O)C)C        632-46-2    211-177-0
                                   -
                  OH              O
                                   +
                                  N
                                          O



                  NH2
16                                                             c1(ccc(cc1[N+](=O)[O-])N)O    119-34-6    204-316-1
              O
                                   Cl




                                   OH
                      OH
17                                                              c1cc(c(cc1C(CCl)=O)O)O       99-40-1     202-754-8



                                          OH
18                                                                     CC(CCO)C              123-51-3    204-633-5



                              O


                              O
                          O
                  O

19                                                                                      85-68-7
                                                        c1cccc(c1C(=O)OCc1ccccc1)C(=O)OCCCC              201-622-7
                           O




                                   Cl
                      O



              HO              O
                              O


                              O
                          O
                  O




                              O




                                  Cl
                      O
20                                                      c1cc(c(cc1C=O)Cl)OC      4903-09-7   225-532-2
              HO              O




                                   OH
                          +
                  -
                      N
              O               O
21                                                 c1cc(c(cc1C(=O)O)O)[N+]([O-])=O619-14-7   210-580-9




              O                   Cl
22                                                        CC(C(=O)Cl)(C)C        3282-30-2   221-921-6

                                  O

     Br                                   O
23                                                         BrCCC(OC)=O           3395-91-3   222-247-5
              OH




                              N


24                                                      c1ccc(cc1O)N(CC)CC       91-68-9     202-090-9


     O                                        OH

          OH
                      O                       OH
25                                                  C(C[C@](O)(C(=O)O)C)(=O)O 6236-09-5      228-350-1

              HO                      O




26                                                      C1C\C=C/CC1C(=O)O        4771-80-6   225-314-7
                      Cl




                              OH
27                                                        c1cc(ccc1Cl)CCO        1875-88-3   217-506-4


28                                                      CCCCCCCCCCCCC            629-50-5    211-093-4

              O

         Cl                               Cl


                              O




              O                           O
                           OH




               O

          Cl                            Cl
29                                                                 ClC(CCCl)=O       625-36-5   210-890-4

                       O




               O                        O

30                                                             c1c(cc(cc1OC)OC)OC    621-23-8   210-673-4

                       O
     HO                                          OH
31                                                                 OCCOCCO           111-46-6   203-872-2

           O           O
                            O

                                    O


32                                                                                   84-74-2
                                                         c1(ccccc1C(OCCCC)=O)C(OCCCC)=O         201-557-4



                                N
                   N

33                                                            C1CCCCN1CN1CCCCC1      880-09-1   212-911-2



                       N



34                                                            c1ccccc1N(CCCC)CCCC    613-29-6   210-335-6

                                                 O

                                        O


35                                                            c1cccc(c1)CCCOC(C)=O   122-72-5   204-569-8

                                         OH




36                                                               C1CC(CC1)CCCO       767-05-5   212-177-3

                                             O
                   O
                                                     O
37                                                              CCCCOCCOC(C)=O       112-07-2   203-933-3


                                    O
                                    +
                                N
                                         -
                                    O
                       O


                                             N



                       O
                                       O
                      O
                                           O




                                   O
                               +
                              N
                                   -
                                   O
                          O
38                                                 c1c(ccc(c1[N+]([O-])=O)OC)C   119-10-8     204-296-4

                                       N



                          O

39                                                     c1ccccc1OCCC#N            3055-86-5    221-278-1

                                               N

40                                                                               124-12-9     204-682-2

              O

          O




41                                                       CCCCCCCC#N              4230-97-1    224-184-9


     HN
      2




42                                                     c1cc(ccc1N)CCCCC          33228-44-3


                          N




43                                                     c1ccccc1N(CC)CC           91-66-7      202-088-8

                  O           OH




44                                                    C/1=C/CC(C1)C(O)=O         7686-77-3
Molecular Formula   Molecular WeightAssay Type   Method    GLP       Species   Strain




C13H18O2                206.28     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified




C7H6ClNO2               171.58     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified




C5H8O2                  100.12     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified




C18H38O2                 286.5     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified




C6H5FN2O2               156.12     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified




C12H10O2                186.21     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified


C14H30O2                230.39     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified




C12H10N2O2              214.22     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified




C6H16N2                 116.21     LLNA                               Mouse
                                                 OECD 429 Not specified        Not specified
C6H4N2O5     184.11   LLNA                        Mouse
                             OECD 429 Not specified       Not specified




C8H9Br       185.07   LLNA                        Mouse
                             OECD 429 Not specified       Not specified



C6H12Cl2O2   187.07   LLNA                        Mouse
                             OECD 429 Not specified       Not specified


C3H6ClI      204.44   LLNA                        Mouse
                             OECD 429 Not specified       Not specified




C8H16O       128.21   LLNA                        Mouse
                             OECD 429 Not specified       Not specified




C9H10O2      150.18   LLNA                        Mouse
                             OECD 429 Not specified       Not specified




C6H6N2O3     154.12   LLNA                        Mouse
                             OECD 429 Not specified       Not specified




C8H7ClO3     186.59   LLNA                        Mouse
                             OECD 429 Not specified       Not specified




C5H12O       88.15    LLNA                        Mouse
                             OECD 429 Not specified       Not specified




C19H20O4     312.36   LLNA                        Mouse
                             OECD 429 Not specified       Not specified
C8H7ClO2   170.59   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C7H5NO5    183.12   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C5H9ClO    120.58   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C4H7BrO2   167.01   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C10H15NO   165.24   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C5H8O5     148.11   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C7H10O2    126.15   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C8H9ClO    156.61   LLNA                        Mouse
                           OECD 429 Not specified       Not specified


C13H28     184.37   LLNA                        Mouse
                           OECD 429 Not specified       Not specified
C3H4Cl2O   126.97   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C9H12O3    168.19   LLNA                        Mouse
                           OECD 429 Not specified       Not specified



C4H10O3    106.12   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C16H22O4   278.35   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C11H22N2   182.31   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C14H23N    205.34   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C11H14O2   178.23   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C8H16O     128.21   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C8H16O3    160.21   LLNA                        Mouse
                           OECD 429 Not specified       Not specified
C8H9NO3    167.16   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C9H9NO     147.18   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C8H15N     125.21   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C11H20O2   184.28   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C11H17N    163.26   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C10H15N    149.24   LLNA                        Mouse
                           OECD 429 Not specified       Not specified




C6H8O2     112.13   LLNA                        Mouse
                           OECD 429 Not specified       Not specified
          Induction
Number of Animals Vehicle (topical)                  Stimulation Index
                                          Induction Concentrations        EC3 %     Classification




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified           39.5    Weak sensitiser




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified                    Non-sensitiser
                                                                         Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                             25% (max.)Not specified                    Non-sensitiser
                                                                         Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified           8.8     Moderate sensitiser




            Acetone:Olive Oil (4:1 v/v)
Not specified                             40% (max.)Not specified                    Non-sensitiser
                                                                         Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                             20% (max.)Not specified                    Non-sensitiser
                                                                         Not specified


            Ethanol:Water (7:3 w/v)
Not specified                                         Not
                                          Not specified specified                    Non-sensitiser
                                                                         Not specified




            DMSO
Not specified                                         Not
                                          Not specified specified           27.9    Weak sensitiser




            Acetone:Olive Oil (4:1 v/v)
Not specified                             25% (max.)Not specified           11.3    Weak sensitiser
            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Moderate sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified      6.2     Moderate sensitiser



            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified


            Acetone:Olive Oil (4:1 v/v)
Not specified                             50% (max.)Not specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Dimethyl formamide
Not specified                                      Not
                                          5-25% (max.) specified                Strong sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Moderate sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                             50% (max.)Not specified               Non-sensitiser
                                                                    Not specified
            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            DMSO
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Moderate sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Moderate sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified      9.3     Moderate sensitiser




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified      31.3    Weak sensitiser


            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified      48.4    Weak sensitiser
            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Strong/extreme sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified



            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Strong sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified      19.6    Weak sensitiser




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified
            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Acetone:Olive Oil (4:1 v/v)
Not specified                                         Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified




            Not
Not specified specified                               Not
                                          Not specified specified     6.40%    Moderate sensitiser




            Not
Not specified specified                               Not
                                          Not specified specified               Strong sensitiser
                                                                    Not specified




            Not
Not specified specified                               Not
                                          Not specified specified               Extreme/strong sensitiser
                                                                    Not specified




            Not
Not specified specified                               Not
                                          Not specified specified               Non-sensitiser
                                                                    Not specified
          R
Source Type eference                                   Comments
                                          Reliability Assessment




            Roberts                                  al., Chem. Res. Toxicol. 20, 1321-30 (2007).
Published literature DW, Patlewicz G, Dimetrov2SD et Authors suspected that sensitisation was due to an impurity.




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts                                  al., Chem. Res. Toxicol. 20, 1321-30 explanation for sensitisation properties.
Published literature DW, Patlewicz G, Dimetrov2SD et Authors suggested autoxidation as an (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).


            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).
            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).



            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).


            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts                                  al., of paper (p.1328) describes chemical as
Published literature DW, Patlewicz G, Dimetrov3SD et TextChem. Res. Toxicol. 20, 1321-30 (2007). a moderate sensitiser; cf. table




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).
            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts                                  al., Chem. Res. Toxicol. 20, 1321-30 (2007).
Published literature DW, Patlewicz G, Dimetrov2SD et Authors suggested that an impurity may be responsible for the positive result.




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).


            Roberts                                  al., Chem. Res. Toxicol. 20, 1321-30 (2007).
Published literature DW, Patlewicz G, Dimetrov2SD et Authors considered sensitisation probably due to impurity or skin irritancy effe
            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).



            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




            Roberts
Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).
                       Roberts
           Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




                       Roberts
           Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




                       Roberts
           Published literature DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




Moderate sensitiser   Roberts DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




Strong sensitiser     Roberts DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).




                      Roberts DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).
Extreme/strong sensitiser




Non-sensitiser        Roberts DW, Patlewicz G, Dimetrov2SD et al., Chem. Res. Toxicol. 20, 1321-30 (2007).
sensitisation was due to an impurity.




xidation as an explanation for sensitisation properties.
describes chemical as a moderate sensitiser; cf. table produced as supplementary material has "strong extreme" sensitiser, presumably the text is correct.
an impurity may be responsible for the positive result.




sitisation probably due to impurity or skin irritancy effects of tridecane
extreme" sensitiser, presumably the text is correct.

								
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