Registration Dossier
Registration Dossier
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EC number: 219-616-8 | CAS number: 2481-94-9
Endpoint summary
Administrative data
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
- 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.
- 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.
Reference
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
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- 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.
- 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.
Reference
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
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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