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Description of key information

Skin irritation:

The dermal irritation potential of 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be irritating to the skin of Vienna White rabbits. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) can be considered as irritating to skin and can be classified under the category ˋCategory 2 (irritant)’ as per CLP regulation.

 

Eye irritation:

The ocular irritation potential of 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be irritating to the eye of New Zealand White rabbits. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) can be considered as irritating to eye and can be classified under the category ˋCategory 2 (irritant)’ as per CLP regulation.

Key value for chemical safety assessment

Skin irritation / corrosion

Link to relevant study records
Reference
Endpoint:
skin irritation: in vivo
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.3
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: 4-(Diethylamino)azobenzene
- Molecular formula: C16H19N3
- Molecular weight: 253.347 g/mol
- Smiles notation: c1(N(CC)CC)ccc(\N=N\c2ccccc2)cc1
- InChl: 1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+
- Substance type: Organic
- Physical state: Solid
Species:
rabbit
Strain:
Vienna White
Details on test animals or test system and environmental conditions:
No data available
Type of coverage:
occlusive
Preparation of test site:
shaved
Vehicle:
not specified
Controls:
not specified
Amount / concentration applied:
No data available
Duration of treatment / exposure:
72 hours
Observation period:
24/48/72 hr
Number of animals:
No data available
Details on study design:
No data available
Irritation parameter:
overall irritation score
Basis:
mean
Time point:
24/48/72 h
Reversibility:
not specified
Remarks on result:
positive indication of irritation
Irritant / corrosive response data:
skin irritating effects were observed in treated rabbits.

Estimation method: Takes mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((((((((((((((((((((((((((((("a" or "b" )  and ("c" and ( not "d") )  )  and "e" )  and ("f" and ( not "g") )  )  and ("h" and ( not "i") )  )  and ("j" and ( not "k") )  )  and ("l" and ( not "m") )  )  and ("n" and ( not "o") )  )  and ("p" and ( not "q") )  )  and ("r" and ( not "s") )  )  and ("t" and ( not "u") )  )  and ("v" and ( not "w") )  )  and ("x" and ( not "y") )  )  and ("z" and ( not "aa") )  )  and ("ab" and ( not "ac") )  )  and ("ad" and ( not "ae") )  )  and ("af" and ( not "ag") )  )  and ("ah" and ( not "ai") )  )  and ("aj" and ( not "ak") )  )  and ("al" and ( not "am") )  )  and ("an" and ( not "ao") )  )  and ("ap" and ( not "aq") )  )  and ("ar" and ( not "as") )  )  and ("at" and ( not "au") )  )  and ("av" and ( not "aw") )  )  and ("ax" and ( not "ay") )  )  and ("az" and ( not "ba") )  )  and "bb" )  and ("bc" and ( not "bd") )  )  and ("be" and ( not "bf") )  )  and ("bg" and "bh" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aromatic amines by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as SN1 OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine by DNA binding by OECD ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Stable form by Tautomers unstable

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Cyanamide form OR Enol form OR Hydroxyazo form - 1,5-H shift OR Hydroxyazo form (fused rings) - 1,5-H shift OR Imine form - 1,3-H shift OR Lactim form by Tautomers unstable

Domain logical expression index: "e"

Similarity boundary:Target: CCN(CC)c1ccc(N=Nc2ccccc2)cc1
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Benzene/ Naphthalene sulfonic acids (Less susceptible) Rank C OR Chlorphentermine (Hepatotoxicity) Alert by Repeated dose (HESS)

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as o-/ p-Aminophenols (Hemolytic anemia with methemoglobinemia) Rank B OR p-Aminophenols (Renal toxicity) Rank B OR Pirprofen (Hepatotoxicity) Alert OR Thiocarbamates/Sulfides (Hepatotoxicity) No rank by Repeated dose (HESS)

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Sulfuric acid derivative OR Sulfuric acid monoester by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Alkylarylether by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as Alcohol by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "p"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as Aryl iodide by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "r"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "s"

Referential boundary: The target chemical should be classified as Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "t"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "u"

Referential boundary: The target chemical should be classified as Secondary aromatic amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "v"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "w"

Referential boundary: The target chemical should be classified as No functional group found OR Phenol by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "x"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "y"

Referential boundary: The target chemical should be classified as Nitro compound by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "z"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "aa"

Referential boundary: The target chemical should be classified as Ketone by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "ab"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "ac"

Referential boundary: The target chemical should be classified as Carboxylic acid ester by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "ad"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "ae"

Referential boundary: The target chemical should be classified as Carboxylic acid prim. amide by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "af"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND Aromatic Carbon [C] AND Azo [-N=N-] AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)

Domain logical expression index: "ag"

Referential boundary: The target chemical should be classified as Fluorine, aromatic attach [-F] OR Fluorine, olefinic attach [-F] by Organic functional groups (US EPA)

Domain logical expression index: "ah"

Referential boundary: The target chemical should be classified as Aromatic amines by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "ai"

Referential boundary: The target chemical should be classified as Inclusion rules not met by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "aj"

Referential boundary: The target chemical should be classified as (!Undefined)Group All Lipid Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4 g/kg AND Group CN Aqueous Solubility < 0.1 g/L AND Group CN log Kow > 4.5 AND Group CN Vapour Pressure < 0.001 Pa by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "ak"

Referential boundary: The target chemical should be classified as Group CNS Melting Point > 120 C OR Group CNS Melting Point > 50 C by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "al"

Referential boundary: The target chemical should be classified as No alert found by rtER Expert System ver.1 - USEPA

Domain logical expression index: "am"

Referential boundary: The target chemical should be classified as 4-Alkylanilines by rtER Expert System ver.1 - USEPA

Domain logical expression index: "an"

Referential boundary: The target chemical should be classified as No alert found by Respiratory sensitisation

Domain logical expression index: "ao"

Referential boundary: The target chemical should be classified as Pro-Michael Addition OR Pro-Michael Addition >> Pro-quinone and related OR Pro-Michael Addition >> Pro-quinone and related >> Phenylenediamines by Respiratory sensitisation

Domain logical expression index: "ap"

Referential boundary: The target chemical should be classified as No alert found by Protein binding alerts for Chromosomal aberration by OASIS v1.1

Domain logical expression index: "aq"

Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Michael addition to the quinoid type structures OR AN2 >> Michael addition to the quinoid type structures >> Substituted Anilines by Protein binding alerts for Chromosomal aberration by OASIS v1.1

Domain logical expression index: "ar"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by Keratinocyte gene expression

Domain logical expression index: "as"

Referential boundary: The target chemical should be classified as Very high gene expression OR Very high gene expression >> Activated halo-benzenes by Keratinocyte gene expression

Domain logical expression index: "at"

Referential boundary: The target chemical should be classified as No alert found by DNA alerts for AMES, MN and CA by OASIS v.1.3

Domain logical expression index: "au"

Referential boundary: The target chemical should be classified as Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic Amines OR SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA alerts for AMES, MN and CA by OASIS v.1.3

Domain logical expression index: "av"

Referential boundary: The target chemical should be classified as Aromatic di-amine derived diazo dyes (12b) AND Known precedent reproductive and developmental toxic potential by DART scheme v.1.0

Domain logical expression index: "aw"

Referential boundary: The target chemical should be classified as Polyhalogenated benzene derivatives (8c) by DART scheme v.1.0

Domain logical expression index: "ax"

Referential boundary: The target chemical should be classified as Aromatic di-amine derived diazo dyes (12b) AND Known precedent reproductive and developmental toxic potential by DART scheme v.1.0

Domain logical expression index: "ay"

Referential boundary: The target chemical should be classified as Non-steroid nucleus derived estrogen receptor (ER) and androgen receptor (AR) >> Other non-steroidal estrogen receptor (ER) binding compounds (2b-2) by DART scheme v.1.0

Domain logical expression index: "az"

Referential boundary: The target chemical should be classified as Aromatic-H AND Azo group   [-N=N-] AND -CH2-  [linear] AND Methyl  [-CH3] AND Tertiary amine by Biodegradation fragments (BioWIN MITI)

Domain logical expression index: "ba"

Referential boundary: The target chemical should be classified as Pyridine ring by Biodegradation fragments (BioWIN MITI)

Domain logical expression index: "bb"

Referential boundary: The target chemical should be classified as Moderate by Bioaccumulation - metabolism half-lives ONLY

Domain logical expression index: "bc"

Referential boundary: The target chemical should be classified as Aromatic-H AND Azo group   [-N=N-] AND Benzene AND -CH2-  [linear] AND Methyl  [-CH3] AND Tertiary amine AND Unsubstituted phenyl group (C6H5-) by Bioaccumulation - metabolism alerts

Domain logical expression index: "bd"

Referential boundary: The target chemical should be classified as Trifluoromethyl group   [-CF3] by Bioaccumulation - metabolism alerts

Domain logical expression index: "be"

Referential boundary: The target chemical should be classified as Aromatic-H AND Azo group   [-N=N-] AND Benzene AND -CH2-  [linear] AND Methyl  [-CH3] AND Tertiary amine AND Unsubstituted phenyl group (C6H5-) by Bioaccumulation - metabolism alerts

Domain logical expression index: "bf"

Referential boundary: The target chemical should be classified as Aromatic-CH3 by Bioaccumulation - metabolism alerts

Domain logical expression index: "bg"

Parametric boundary:The target chemical should have a value of log Kow which is >= 4.23

Domain logical expression index: "bh"

Parametric boundary:The target chemical should have a value of log Kow which is <= 8.86

Interpretation of results:
Category 2 (irritant) based on GHS criteria
Conclusions:
 The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be irritating to the skin of Vienna White rabbits. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) can be considered as irritating to skin.
Executive summary:

The dermal irritation potential of 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be irritating to the skin of Vienna White rabbits. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) can be considered as irritating to skin and can be classified under the category ˋCategory 2 (irritant)’ as per CLP regulation.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Eye irritation

Link to relevant study records
Reference
Endpoint:
eye irritation: in vivo
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.3
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: 4-(Diethylamino)azobenzene
- Molecular formula: C16H19N3
- Molecular weight: 253.347 g/mol
- Smiles notation: c1(N(CC)CC)ccc(\N=N\c2ccccc2)cc1
- InChl: 1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+
- Substance type: Organic
- Physical state: Solid
Species:
rabbit
Strain:
New Zealand White
Details on test animals or tissues and environmental conditions:
No data available
Vehicle:
not specified
Controls:
not specified
Amount / concentration applied:
No data available
Duration of treatment / exposure:
24 hours
Observation period (in vivo):
14 days
Duration of post- treatment incubation (in vitro):
No data available
Number of animals or in vitro replicates:
No data available
Irritation parameter:
overall irritation score
Basis:
mean
Time point:
14 d
Reversibility:
not specified
Remarks on result:
positive indication of irritation
Irritant / corrosive response data:
severe eye irritation was observed.

Estimation method: Takes mode value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

((((((((((((((("a" or "b" or "c" or "d" )  and ("e" and ( not "f") )  )  and "g" )  and "h" )  and "i" )  and "j" )  and "k" )  and "l" )  and "m" )  and "n" )  and "o" )  and "p" )  and ("q" and ( not "r") )  )  and ("s" and ( not "t") )  )  and ("u" and "v" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aromatic amine OR Aryl OR Azo by Organic Functional groups ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aromatic amine OR Aryl OR Azo OR Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic Nitrogen, one aromatic attach [-N] OR Amino, aliphatic attach [-N<] OR Aromatic Carbon [C] OR Azo [-N=N-] OR Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Amine OR Aromatic compound OR Azo compound OR Tertiary amine OR Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N by Chemical elements

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr OR Group 14 - Metalloids Si,Ge OR Group 15 - Phosphorus P OR Group 16 - Oxygen O OR Group 16 - Sulfur S OR Group 17 - Halogens Cl OR Group 17 - Halogens F,Cl,Br,I,At OR Group 4 - Trans.Metals Ti,Zr,Hf OR Group 6 - Trans.Metals Cr,Mo,W by Chemical elements

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND Aromatic Carbon [C] AND Azo [-N=N-] AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "h"

Similarity boundary:Target: CCN(CC)c1ccc(N=Nc2ccccc2)cc1
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "p"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)

Domain logical expression index: "r"

Referential boundary: The target chemical should be classified as Anilines (Hepatotoxicity) Rank C OR Aromatic hydrocarbons (Liver enzyme induction) Rank C by Repeated dose (HESS)

Domain logical expression index: "s"

Referential boundary: The target chemical should be classified as (!Undefined)Group All Lipid Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4 g/kg AND Group CN Aqueous Solubility < 0.1 g/L AND Group CN log Kow > 4.5 AND Group CN Vapour Pressure < 0.001 Pa by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "t"

Referential boundary: The target chemical should be classified as (!Undefined)Group C Surface Tension > 62 mN/m by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "u"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.01

Domain logical expression index: "v"

Parametric boundary:The target chemical should have a value of log Kow which is <= 7.42

Interpretation of results:
Category 2 (irritating to eyes) based on GHS criteria
Conclusions:
The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be irritating to the eye of New Zealand White rabbits. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) can be considered as irritating to eye.
Executive summary:

The ocular irritation potential of 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) was estimated to be irritating to the eye of New Zealand White rabbits. Based on the estimated result 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) can be considered as irritating to eye and can be classified under the category ˋCategory 2 (irritant)’ as per CLP regulation.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Respiratory irritation

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

Skin irritation:

Various studieshas been investigated for the test chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9)to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits and humans for target chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;

 

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for test chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) .The chemical 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) is estimated to be irritating to skin of Vienna White rabbits.

 

TheTAKEHITO KGZUKA, MINORU TASHIR0, SHIGEHARU SANO, KEIICHI FUJIMOTO, YUMI NAKAMURA, SEIICHI HASHIMOTO AND GEN NAKAMINAM (1980)carried out skin irritation studyin human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R forstructurally similar read across substance1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)to assess its irritation efficacy. The patch of 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol was applied onto the back of each patient for 24 hours by usingFinn Chambers® on Scanpor® (Epitest, Ltd. Oy). After removal of patch, skin reactions were assessedaccording to the ICDRG classification for 2 days.Twenty-eight healthy female volunteers, aged 20 and 21, were also tested with the sample as controls. None gave a positive reaction.Since thepositive reactions were seen in 2 out of total 8 cases,the chemical1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)was considered to be irritatingin human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R.

 

 

The above results were further supported by experimental studies conducted bytheCommission of the European Communities(1988) forstructurally similar read across substance1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6) on rabbits. The 1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol was applied dermally on to the skin of each rabbits at concentration of 500 mg in 0.5 mL 1,2-propanediol. The treated rabbits produced slight skin reaction with irritation index of 2.3. Hence the chemical 1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6) was considered to be irritating to the skin of rabbits.

 

Based on the available data for the targetchemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6),it can be concluded thatchemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) is able to cause skin irritation and considered as irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2(irritant)”.

 

Eye irritation

In different studies,the test chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) has been investigated for potential for ocular irritationto observe the potential for ocular irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;

 

In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the eye irritation potential was estimated for test chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) .The chemical 4-(Diethylamino)azobenzene (CAS No: 2481-94-9) is estimated to be irritating to eye of New Zealand White rabbits.

 

The above result was further supported by experimental studies conducted byCommission of the European Communities(1988)forstructurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) and 1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6)in rabbits as follows;

 

When pure1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol was administrated into the eye of rabbits, slight ocular effects were observed. Hence the chemical 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) was considered to be irritating to the rabbits’ eye.

 

In an eye irritation test for1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6), 100 mg of1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol was made into a paste with 8 drops of 1,2-propanediol and instilled into the rabbits eyes The rabbits were observed (duration not specified) for ocular reactions to1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol. Since no known ocular lesions were observed, the chemical1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6), was considered as slightly irritating to the mucous membranes.

 

Thus based on the available data for the targetchemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol (CAS No: 85-83-6),it can be concluded thatchemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) is able to cause eye irritation and considered as irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2(irritant)”.

Justification for classification or non-classification

The skin and eye irritation potential of test chemical4-(Diethylamino)azobenzene (CAS No: 2481-94-9) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicates that the test chemical 4-(Diethylamino)azobenzeneis likely to cause skin and eye irritation. Hence 4-(Diethylamino)azobenzene (CAS No: 2481-94-9)can be classified under the category “Category 2(irritant)” for skin and eye as per CLP.

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