2-ethoxynaphthalene-1-carbonyl chloride

Endpoint summary

Description of key information

Skin irritation:

The dermal irritation potential of 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to skin and can be classified under the category “Category 2”as per CLP regulation.

Eye irritation:

The ocular irritation potential of 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to eye and can be classified under the category “Category 2”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 (IUPAC name): 2-Ethoxy-1-naphthoyl Chloride
- Molecular formula: C13H11ClO2
- Molecular weight: 234.681 g/mol
- Smiles notation: O=C(c1c2c(cccc2)ccc1OCC)Cl
- InChl: 1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3
- Substance type: Organic
- Physical state: Solid

Species:

rabbit

Strain:

New Zealand White

Details on test animals or test system and environmental conditions:

No data available

Type of coverage:

semiocclusive

Preparation of test site:

shaved

Vehicle:

not specified

Controls:

not specified

Amount / concentration applied:

No data available

Duration of treatment / exposure:

4 hours

Observation period:

72 hours

Number of animals:

3

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 irritation was observed in treated rabbits.

Estimation method: Takes mode value from the 8 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 ( not "j") )  )  and ("k" and ( not "l") )  )  and ("m" and ( not "n") )  )  and ("o" and ( not "p") )  )  and "q" )  and "r" )  and ("s" and ( not "t") )  )  and "u" )  and "v" )  and "w" )  and ("x" and "y" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Acyl chloride OR Acyl halide OR Alkylarylether OR Aromatic compound OR Carbonic acid derivative OR Carboxylic acid derivative OR Ether OR Halogen derivative by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aromatic Carbon [C] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA) 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 Aromatic Carbon [C] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acyl halide OR Alkoxy OR Aryl OR Ether OR Fused carbocyclic aromatic OR Naphtalene by Organic Functional groups ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non binder, non cyclic structure by Estrogen Receptor Binding

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Not calculated by Hydrolysis half-life (Ka, pH 7)(Hydrowin) ONLY

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis ONLY

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 16 - Oxygen O AND Group 17 - Halogens Cl AND Group 17 - Halogens F,Cl,Br,I,At by Chemical elements

Domain logical expression index: "j"

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 - Nitrogen N OR Group 15 - Phosphorus P OR Group 16 - Sulfur S by Chemical elements

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as (!Undefined)Group All Lipid Solubility < 0.01 g/kg AND Group CHal Melting Point > 65 C by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Group C Melting Point > 55 C by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as (!Undefined)Group All Lipid Solubility < 0.01 g/kg AND Group CHal Melting Point > 65 C by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Group All Melting Point > 200 C OR Group C Aqueous Solubility < 0.0001 g/L OR Group CHal log Kow > 4.5 by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "o"

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: "p"

Referential boundary: The target chemical should be classified as Acyl halides OR Aldehydes OR Esters including acrylic and methacrylic esters OR Ethylenglycolethers OR Ketones OR Substituted benzoic acid halogenides by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as Acyl chloride AND Acyl halide AND Alkylarylether AND Aromatic compound AND Carbonic acid derivative AND Carboxylic acid derivative AND Ether AND Halogen derivative by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "r"

Similarity boundary:Target: CCOc1ccc2ccccc2c1C(=O)Cl
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "s"

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

Domain logical expression index: "t"

Referential boundary: The target chemical should be classified as 3-Methylcholantrene (Hepatotoxicity) Alert OR Allyl esters (Hepatotoxicity) Rank A OR Amineptine (Hepatotoxicity) Alert OR Aromatic hydrocarbons (Liver enzyme induction) Rank C OR Chlorphentermine (Hepatotoxicity) Alert OR Tamoxifen (Hepatotoxicity) Alert by Repeated dose (HESS)

Domain logical expression index: "u"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon [C] AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one aromatic attach [-C(=O)-] AND Chlorine, olefinic attach [-Cl] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "v"

Referential boundary: The target chemical should be classified as Acyl halide AND Alkoxy AND Ether AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "w"

Referential boundary: The target chemical should be classified as Acyl halide AND Alkoxy AND Ether AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "x"

Parametric boundary:The target chemical should have a value of log Kow which is >= 3.03

Domain logical expression index: "y"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.63

Interpretation of results:

Category 2 (irritant) based on GHS criteria

Conclusions:

The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to skin.

Executive summary:

The dermal irritation potential of 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to skin and can be classified under the category “Category 2”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 (IUPAC name): 2-Ethoxy-1-naphthoyl Chloride
- Molecular formula: C13H11ClO2
- Molecular weight: 234.681 g/mol
- Smiles notation: O=C(c1c2c(cccc2)ccc1OCC)Cl
- InChl: 1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3
- 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:

single application

Observation period (in vivo):

72 hours

Number of animals or in vitro replicates:

3

Details on study design:

No data available

Irritation parameter:

overall irritation score

Basis:

mean

Time point:

72 h

Reversibility:

not specified

Remarks on result:

positive indication of irritation

Irritant / corrosive response data:

severe eye damage was observed in treated rabbits.

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 ( not "m") )  )  and ("n" and ( not "o") )  )  and "p" )  and ("q" and ( not "r") )  )  and ("s" and ( not "t") )  )  and "u" )  and ("v" and ( not "w") )  )  and "x" )  and "y" )  and "z" )  and "aa" )  and "ab" )  and "ac" )  and "ad" )  and "ae" )  and "af" )  and "ag" )  and ("ah" and ( not "ai") )  )  and ("aj" and ( not "ak") )  )  and ("al" and "am" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Acyl chloride OR Acyl halide OR Alkylarylether OR Aromatic compound OR Carbonic acid derivative OR Carboxylic acid derivative OR Ether OR Halogen derivative by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aromatic Carbon [C] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA) 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 Aromatic Carbon [C] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acyl halide OR Alkoxy OR Aryl OR Ether OR Fused carbocyclic aromatic OR Naphtalene by Organic Functional groups ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Non binder, MW>500 by Estrogen Receptor Binding

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Not calculated by Hydrolysis half-life (Ka, pH 7)(Hydrowin) ONLY

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Not calculated by Hydrolysis half-life (Kb, pH 7)(Hydrowin) ONLY

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Not calculated by Hydrolysis half-life (pH 6.5-7.4) ONLY

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as days - weeks by Biodeg primary (Biowin 4) ONLY

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Biodegrades Fast by Biodeg probability (Biowin 1) ONLY

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as SN2 AND SN2 >> Direct acylation involving a leaving group AND SN2 >> Direct acylation involving a leaving group >> Acyl Halides by DNA binding by OASIS v.1.3

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base formation >> alpha, beta-Unsaturated Aldehydes by DNA binding by OASIS v.1.3

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as SN2 AND SN2 >> Direct acylation involving a leaving group AND SN2 >> Direct acylation involving a leaving group >> Acyl Halides by DNA binding by OASIS v.1.3

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as Radical OR Radical >> Generation of reactive oxygen species OR Radical >> Generation of reactive oxygen species >> Thiols OR SN1 OR SN1 >> Alkylation after metabolically formed carbenium ion species by DNA binding by OASIS v.1.3

Domain logical expression index: "p"

Referential boundary: The target chemical should be classified as Acylation AND Acylation >> Direct Addition of an Acyl Halide AND Acylation >> Direct Addition of an Acyl Halide >> Acyl halide by DNA binding by OECD ONLY

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as Acylation AND Acylation >> Direct acylation involving a leaving group AND Acylation >> Direct acylation involving a leaving group >> (Thio)Acyl and (thio)carbamoyl halides and cyanides  by Protein binding by OASIS v1.3

Domain logical expression index: "r"

Referential boundary: The target chemical should be classified as Michael Addition OR Michael Addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael Addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-Carbonyl compounds with polarized double bonds  OR Michael Addition >> Polarised Alkenes OR Michael Addition >> Polarised Alkenes >> Polarised Alkene - alkenyl pyridines, pyrazines, pyrimidines or triazines  by Protein binding by OASIS v1.3

Domain logical expression index: "s"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules (GSH) by Protein binding potency

Domain logical expression index: "t"

Referential boundary: The target chemical should be classified as Highly reactive (GSH) OR Highly reactive (GSH) >> Furamates (MA) by Protein binding potency

Domain logical expression index: "u"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (original) ONLY

Domain logical expression index: "v"

Referential boundary: The target chemical should be classified as No Data by Ultimate biodeg

Domain logical expression index: "w"

Referential boundary: The target chemical should be classified as > 100 days by Ultimate biodeg

Domain logical expression index: "x"

Referential boundary: The target chemical should be classified as Class 3 (unspecific reactivity) by Acute aquatic toxicity classification by Verhaar (Modified) ONLY

Domain logical expression index: "y"

Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS ONLY

Domain logical expression index: "z"

Referential boundary: The target chemical should be classified as Acid Halides by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "aa"

Referential boundary: The target chemical should be classified as Acid Halides by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "ab"

Referential boundary: The target chemical should be classified as Acid Halides by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "ac"

Referential boundary: The target chemical should be classified as Acid Halides by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "ad"

Referential boundary: The target chemical should be classified as Acid Halides by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "ae"

Referential boundary: The target chemical should be classified as Acid Halides by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "af"

Referential boundary: The target chemical should be classified as Acid Halides by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "ag"

Referential boundary: The target chemical should be classified as Acid Halides by Aquatic toxicity classification by ECOSAR ONLY

Domain logical expression index: "ah"

Referential boundary: The target chemical should be classified as Aromatic ether  [-O-aromatic carbon] AND Aromatic-H AND -CH2-  [linear] AND Methyl  [-CH3] AND Naphthalene AND Number of fused 6-carbon aromatic rings by Bioaccumulation - metabolism alerts

Domain logical expression index: "ai"

Referential boundary: The target chemical should be classified as Aromatic acid   [-C(=O)-OH] by Bioaccumulation - metabolism alerts

Domain logical expression index: "aj"

Referential boundary: The target chemical should be classified as Aromatic ether  [-O-aromatic carbon] AND Aromatic-H AND -CH2-  [linear] AND Methyl  [-CH3] AND Naphthalene AND Number of fused 6-carbon aromatic rings by Bioaccumulation - metabolism alerts

Domain logical expression index: "ak"

Referential boundary: The target chemical should be classified as No alert found by Bioaccumulation - metabolism alerts

Domain logical expression index: "al"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.437

Domain logical expression index: "am"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.87

Interpretation of results:

Category 2 (irritating to eyes) based on GHS criteria

Conclusions:

The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to eye.

Executive summary:

The ocular irritation potential of 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to eye and can be classified under the category “Category 2”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 chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3)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 chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data which are summarized as below;

 

The prediction modelOECD QSAR toolbox version 3.3 with logPow as the primary descriptor, estimated dermal irritation potential for test chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3). The test substance 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) is estimated to be irritating to skin of New Zealand White Rabbits.

 

The above result was further supported by the dermal irritation studies conducted byTAKEHITO KGZUKA et al., {Contact Dermatitis; Volume 6; Pg. no. 330-336; 1980}for two read across substances 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9) in human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R. Both the studies were performed by the same method. During the test, the patch of each chemical was applied onto the back of each patientfor 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. Thepositive reactions were seen in 2 out of total 8 patients in case ofchemical1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) while in case of chemical 1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9), all the treated patients showed positive skin reactions. Therefore on the basis of observed effects the chemicals1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9) wereconsidered to be irritatingin human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R.

 

Based on the available data for the target substance 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) while in case of chemical 1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9),it can be concluded thatchemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) 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”.

 

 

Eye irritation:

In different studies,test chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3)has been investigated for potential for ocular irritation to a greater or lesser extentThe studies are based on in vivo experiments in rabbits for target chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3)and its structurally similar read across substances1-[(2-methoxyphenyl)diazenyl]-2-naphthol(CAS No: 1229-55-6) and 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data which are summarized as below;

 

The prediction modelOECD QSAR toolbox version 3.3 with logPow as the primary descriptor, estimated an eye irritation potential for test chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3). The test substance 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) is estimated to be irritating to eye of New Zealand White Rabbits.

 

The Gunda Reddy and Dale A. Mayhew{International Journal of Toxicology Vol 15, Issue 1_suppl, pp. S43 - S44, 1996} andU.S. Army Medical Bioengineering Research and development Laboratory{NTRL- April - 1986, Page no 1-169} conducted an ocular irritation study for read across substance 1-[(2-methoxyphenyl)diazenyl]-2-naphthol(1229-55-6)on6 (3/sex) New Zealand White Albino rabbits. About 0.1 g of neat1-[(2-methoxyphenyl)diazenyl]-2-naphthol was instilled into the eyes of rabbits and the effects were observed. The treated eye of each animal was examined for ocular irritation and lesions at 24, 48 and 72 hours (+2 hours at each interval). The treated eyes were evaluated on days 7, 14, and 21 if irritation persisted. No mortality and clinical signs of toxicity were observed in treated rabbits. Redness (grades 1 through 3), chemosis (grades I and 2), discharge (grades 1 and 2) and iritis (grade 1) were observed. Blistering of the conjunctivae were observed. Blistering of the conjunctivae was noted for all animals. Two animals also exhibited opacities and positive fluorescein staining. All animals were considered to have exhibited a positive response to1-[(2-methoxyphenyl)diazenyl]-2-naphthol.The mean irritation score after 72 hours was 0.7 Hence,1-[(2-methoxyphenyl)diazenyl]-2-naphthol(CAS No: 1229-55-6)can be considered to be irritating to New Zealand White rabbit eyes.

 

The above results were further supported by experimental study reported byCommission of the European Communities{Directorate-General Telecommunications, Information Industries and Innovation; Bâtiment Jean Monnet, LUXEMBOURG, 1988} for read across chemical1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) in rabbits.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.

 

Based on the available data for the target substance 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) and its structurally similar read across substances1-[(2-methoxyphenyl)diazenyl]-2-naphthol(CAS No: 1229-55-6) and 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6),it can be concluded thatchemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) 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”.

Justification for classification or non-classification

The skin and eye irritation potential of test chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicates that the test chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3)is likely to cause skin and eye irritation. Hence2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be classified under the category “Category 2” for skin and eye as per CLP.