Isononyl acetate

Endpoint summary

Description of key information

Skin irritation:

Skin irritation study of Isononyl acetate (CAS No: 40379-24-6) was conducted on rabbits to determine the degree of skin irritancy.Each rabbit received neatIsononyl acetate (CAS No: 40379-24-6) on intact and abraded skin for 24 hours under occlusive condition and later observed for skin lesions.Since the treated rabbits showed no signs of irritation, the chemical Isononyl acetate (CAS No: 40379-24-6)was considered to be not irritating to theintact and abraded skin of rabbits and can be classified under the category ˋ Not Classified’ as per CLP regulation.

 

Eye irritation:

The ocular irritation potential of Isononyl acetate (CAS No: 40379-24-6) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance Isononyl acetate (CAS No: 40379-24-6) was estimated to be not irritating to the eye of New Zealand White rabbits. Based on the estimated result Isononyl acetate (CAS No: 40379-24-6) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ 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:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Data is from peer reviewed journal.

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Skin irritation study of Isononyl acetate (CAS No: 40379-24-6) was conducted on intact and abraded skin of rabbits to determine the degree of skin irritancy caused by the chemical under occlusive condition.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (IUPAC name): - 3,5,5-trimethylhexyl acetate
-Common name: Isononyl acetate
- Molecular formula : C11H22O2
- Molecular weight : 186.293 g/mol
- Smiles notation : C(C)(=O)OCCCCCCC(C)C
- InChl : 1S/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3
- Substance type: Organic
- Physical state: Liquid

Species:

rabbit

Strain:

not specified

Details on test animals or test system and environmental conditions:

No data available

Type of coverage:

occlusive

Preparation of test site:

other: Intact and abraded

Vehicle:

unchanged (no vehicle)

Controls:

not specified

Amount / concentration applied:

100%

Duration of treatment / exposure:

24 hours

Observation period:

24 hours

Number of animals:

No Data Available

Details on study design:

No Data Available

Irritation parameter:

overall irritation score

Basis:

mean

Time point:

24 h

Reversibility:

not specified

Remarks on result:

no indication of irritation

Irritant / corrosive response data:

No signs of skin irritation were observed.

Interpretation of results:

other: Not irritating

Conclusions:

The test material Isononyl acetate (CAS No: 40379-24-6) was considered to be not irritating to the intact and abraded skin of rabbits.

Executive summary:

Skin irritation study of Isononyl acetate (CAS No: 40379-24-6) was conducted on rabbits to determine the degree of skin irritancy.

 

Each rabbit received neatIsoamyl Propionate on intact and abraded skin for 24 hours under occlusive condition and later observed for skin lesions.

 

Since the treated rabbits showed no signs of irritation, the chemicalIsononyl acetate (CAS No: 40379-24-6)was considered to be not irritating to theintact and abraded skin of rabbits.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not 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 3.4 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 3.4

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (IUPAC name): - 3,5,5-trimethylhexyl acetate
-Common name: Isononyl acetate
- Molecular formula : C11H22O2
- Molecular weight : 186.293 g/mol
- Smiles notation : C(C)(=O)OCCCCCCC(C)C
- InChl : 1S/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3
- Substance type: Organic
- Physical state: Liquid

Species:

rabbit

Strain:

New Zealand White

Details on test animals or tissues and environmental conditions:

not specified

Vehicle:

not specified

Controls:

not specified

Amount / concentration applied:

not specified

Duration of treatment / exposure:

72 hours

Observation period (in vivo):

24/48/72 hours

Duration of post- treatment incubation (in vitro):

not specified

Number of animals or in vitro replicates:

not specified

Details on study design:

not specified

Irritation parameter:

overall irritation score

Basis:

mean

Time point:

24/48/72 h

Reversibility:

not specified

Remarks on result:

no indication of irritation

Irritant / corrosive response data:

No ocular lesions were observed.

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

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Esters (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as AN2 AND AN2 >> Shiff base formation after aldehyde release AND AN2 >> Shiff base formation after aldehyde release >> Specific Acetate Esters AND SN1 AND SN1 >> Nucleophilic attack after carbenium ion formation AND SN1 >> Nucleophilic attack after carbenium ion formation >> Specific Acetate Esters AND SN2 AND SN2 >> Acylation AND SN2 >> Acylation >> Specific Acetate Esters AND SN2 >> Nucleophilic substitution at sp3 Carbon atom AND SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate Esters by DNA binding by OASIS v.1.4

Domain logical expression index: "c"

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

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Esters by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as AN2 AND AN2 >> Shiff base formation after aldehyde release AND AN2 >> Shiff base formation after aldehyde release >> Specific Acetate Esters AND SN1 AND SN1 >> Nucleophilic attack after carbenium ion formation AND SN1 >> Nucleophilic attack after carbenium ion formation >> Specific Acetate Esters AND SN2 AND SN2 >> Acylation AND SN2 >> Acylation >> Specific Acetate Esters AND SN2 >> Nucleophilic substitution at sp3 Carbon atom AND SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate Esters by DNA binding by OASIS v.1.4

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as AN2 >>  Michael-type addition, quinoid structures OR AN2 >>  Michael-type addition, quinoid structures >> Quinoneimines OR AN2 >>  Michael-type addition, quinoid structures >> Quinones and Trihydroxybenzenes OR AN2 >> Michael-type addition on alpha, beta-unsaturated carbonyl compounds OR AN2 >> Michael-type addition on alpha, beta-unsaturated carbonyl compounds >> Four- and Five-Membered Lactones OR AN2 >> Michael-type conjugate addition to activated alkene derivatives OR AN2 >> Michael-type conjugate addition to activated alkene derivatives >> Alpha-Beta Conjugated Alkene Derivatives with Geminal Electron-Withdrawing Groups OR 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 OR AN2 >> Schiff base formation by aldehyde formed after metabolic activation OR AN2 >> Schiff base formation by aldehyde formed after metabolic activation >> Geminal Polyhaloalkane Derivatives OR AN2 >> Shiff base formation for aldehydes OR AN2 >> Shiff base formation for aldehydes >> Haloalkane Derivatives with Labile Halogen OR No alert found OR Non-covalent interaction OR Non-covalent interaction >> DNA intercalation OR Non-covalent interaction >> DNA intercalation >> Amino Anthraquinones OR Non-covalent interaction >> DNA intercalation >> Coumarins OR Non-covalent interaction >> DNA intercalation >> DNA Intercalators with Carboxamide and Aminoalkylamine Side Chain OR Non-covalent interaction >> DNA intercalation >> Organic Azides OR Non-covalent interaction >> DNA intercalation >> Quinones and Trihydroxybenzenes OR Radical OR Radical >> Generation of ROS by glutathione depletion (indirect) OR Radical >> Generation of ROS by glutathione depletion (indirect) >> Haloalkanes Containing Heteroatom OR Radical >> Radical mechanism by ROS formation OR Radical >> Radical mechanism by ROS formation >> Organic Azides OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Amino Anthraquinones OR Radical >> Radical mechanism via ROS formation (indirect) >> Coumarins OR Radical >> Radical mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane Derivatives OR Radical >> Radical mechanism via ROS formation (indirect) >> Nitroarenes with Other Active Groups OR Radical >> Radical mechanism via ROS formation (indirect) >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >> Radical mechanism via ROS formation (indirect) >> p-Substituted Mononitrobenzenes OR Radical >> Radical mechanism via ROS formation (indirect) >> Quinones and Trihydroxybenzenes OR Radical >> Radical mechanism via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic Amines OR Radical >> Radical mechanism via ROS formation (indirect) >> Thiols OR Radical >> ROS formation after GSH depletion (indirect) OR Radical >> ROS formation after GSH depletion (indirect) >> Quinoneimines OR SN1 >> Carbenium ion formation OR SN1 >> Carbenium ion formation >> Alpha-Haloethers OR SN1 >> Nucleophilic attack after diazonium or carbenium ion formation OR SN1 >> Nucleophilic attack after diazonium or carbenium ion formation >> Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Amino Anthraquinones OR SN1 >> Nucleophilic attack after nitrene formation OR SN1 >> Nucleophilic attack after nitrene formation >> Organic Azides OR SN1 >> Nucleophilic attack after nitrenium ion formation OR SN1 >> Nucleophilic attack after nitrenium ion formation >> Single-Ring Substituted Primary Aromatic Amines OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> p-Substituted Mononitrobenzenes OR SN2 >> Acylation involving a leaving group  OR SN2 >> Acylation involving a leaving group  >> Haloalkane Derivatives with Labile Halogen OR SN2 >> Acylation involving a leaving group after metabolic activation OR SN2 >> Acylation involving a leaving group after metabolic activation >> Geminal Polyhaloalkane Derivatives OR SN2 >> Alkylation OR SN2 >> Alkylation >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates OR SN2 >> Alkylation, direct acting epoxides and related OR SN2 >> Alkylation, direct acting epoxides and related >> Epoxides and Aziridines OR SN2 >> Alkylation, direct acting epoxides and related after cyclization OR SN2 >> Alkylation, direct acting epoxides and related after cyclization >> Nitrogen and Sulfur Mustards OR SN2 >> Alkylation, nucleophilic substitution at sp3-carbon atom OR SN2 >> Alkylation, nucleophilic substitution at sp3-carbon atom >> Haloalkane Derivatives with Labile Halogen OR SN2 >> Alkylation, nucleophilic substitution at sp3-carbon atom >> Haloalkanes Containing Heteroatom OR SN2 >> Alkylation, nucleophilic substitution at sp3-carbon atom >> Sulfonates and Sulfates OR SN2 >> Alkylation, ring opening SN2 reaction OR SN2 >> Alkylation, ring opening SN2 reaction >> Four- and Five-Membered Lactones OR SN2 >> Alkylation, ring opening SN2 reaction >> Sultones OR SN2 >> Direct acting epoxides formed after metabolic activation OR SN2 >> Direct acting epoxides formed after metabolic activation >> Coumarins OR SN2 >> Direct acting epoxides formed after metabolic activation >> Quinoline Derivatives OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom OR SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol (glutathione) conjugation OR SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol (glutathione) conjugation >> Geminal Polyhaloalkane Derivatives OR SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at an activated carbon atom >> Quinoline Derivatives OR SN2 >> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 >> Nitroarenes with Other Active Groups by DNA binding by OASIS v.1.4

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Michael addition OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR Michael addition >> Polarised Alkenes-Michael addition OR Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines OR SN2 OR SN2 >> SN2 at an sp3 Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides OR SN2 >> SN2 at an sp3 Carbon atom >> Phosphonic esters by DNA binding by OECD

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.4

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Anhydrides (sulphur analogues of anhydrides)  OR Acylation >> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated aryl esters  OR AN2 OR AN2 >> Michael addition to alpha, beta-unsaturated acids and esters OR AN2 >> Michael addition to alpha, beta-unsaturated acids and esters >> alpha,beta-Unsaturated Carboxylic Acids and Esters OR 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 >> Conjugated systems with electron withdrawing groups  OR SN2 OR SN2 >> SN2 Reaction at a sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3 carbon atom >> Activated alkyl esters and thioesters  by Protein binding by OASIS v1.4

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as No superfragment by Superfragments ONLY

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Low (Class I) by Toxic hazard classification by Cramer (extension) ONLY

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Acetoxy AND Carboxylic acid ester AND Isopropyl by Organic Functional groups

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Alkene by Organic Functional groups

Domain logical expression index: "o"

Similarity boundary:Target: CC(C)CCCCCCOC(C)=O
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "p"

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

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as Diethylene Glycol Alkyl Ethers (Less susceptible) No Rank by Repeated dose (HESS)

Domain logical expression index: "r"

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

Domain logical expression index: "s"

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

Domain logical expression index: "t"

Referential boundary: The target chemical should be classified as Esters including acrylic and methacrylic esters by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "u"

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: "v"

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: "w"

Parametric boundary:The target chemical should have a value of log Kow which is >= 3.06

Domain logical expression index: "x"

Parametric boundary:The target chemical should have a value of log Kow which is <= 4.42

Interpretation of results:

other: not irritating

Conclusions:

The substance Isononyl acetate (CAS No: 40379-24-6) was estimated to be not irritating to the eye of New Zealand White rabbits. Based on the estimated result Isononyl acetate (CAS No: 40379-24-6) can be considered to be not irritating to eye.

Executive summary:

The ocular irritation potential of Isononyl acetate (CAS No: 40379-24-6) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance Isononyl acetate (CAS No: 40379-24-6) was estimated to be not irritating to the eye of New Zealand White rabbits. Based on the estimated result Isononyl acetate (CAS No: 40379-24-6) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ as per CLP regulation.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not irritating)

Respiratory irritation

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Skin irritation:

Various studieshas been investigated for the test chemicalIsononyl acetate (CAS No: 40379-24-6)to observe the potential for skin irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits and humans for target chemicalIsononyl acetate (CAS No: 40379-24-6) and its structurally similar read across substancesIsoamyl salicylate(CAS No: 87-20-7) and Isoamyl Propionate (CAS No: 105-68-0).The predicted data using the OECD QSAR toolbox andDanish QSAR databasehas also been compared with the experimental data and summarized as below;

 

The D. L. J. Opdyke (1979)carried outSkin irritation study of Isononyl acetate (CAS No: 40379-24-6) on rabbits and humans to determine the degree of skin irritancy caused by the chemical as below;

In case of rabbits,each rabbit received neatIsononyl acetate (CAS No: 40379-24-6) on intact and abraded skin for 24 hours under occlusive condition and later observed for skin lesions.The treated rabbits showed no signs of irritation.

In human study, each subject was treated with 4% of Isononyl acetate (CAS No: 40379-24-6) in petrolatum dermally for 48 hours under a closed path patch.No known signs of irritation were observed.

Since in both the cases, no skin sensitizing effects were observed the chemicalIsononyl acetate (CAS No: 40379-24-6)was considered to be not irritating to theskin of rabbits and human subjects.

 

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 chemicalIsononyl acetate (CAS No: 40379-24-6) .The chemical Isononyl acetate (CAS No: 40379-24-6) is estimated to be not irritating to skin of albino rabbits.

 

According to Danish QSAR database, skin irritation effects were estimated by using four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra for Isononyl acetate (CAS No: 40379-24-6). Based on estimation, no severe skin irritation effects were known when Isononyl acetate (CAS No: 40379-24-6) was exposed to rabbit skin. Hence, Isononyl acetate (CAS No: 40379-24-6) can be considered to be not irritating to skin.

 

The above results were supported by the 48-h semi-occluded patch test conducted by A. Lapczynski, L. Jones, D. McGinty, S. Bhatia, C.S. Letizia, A.M. Api (2007) forstructurally similar read across substanceIsoamyl salicylate(CAS No: 87-20-7) on 50 male volunteers. About 0.05 ml aliquot of isoamyl salicylate was applied to a 15 mm patch which was then applied to the back of all the volunteers. After 48 h, the patches were removed and any residual isoamyl salicylate was swabbed with dry gauze. Reactions were read 30 min later and if needed, subsequent readings were performed at 72, 96 and 120 h. No irritation was observed. Hence, the substance isoamyl salicylate(CAS No: -87-20-7) was considered to be non-irritant to human skin.

 

The above studies were further supported by skin irritation study reported on rabbits by D. L. J. Opdyke (1979) for structurallysimilar read across substanceIsoamyl Propionate (CAS No: 105-68-0)on rabbits. Each rabbit received neat Isoamyl Propionate on intact and abraded skin for 24 hours under occlusive condition and later observed for skin lesions. Since the treated rabbits showed no signs of irritation, the chemical Isoamyl Propionate (CAS No: 105-68-0) was considered to be not irritating to the intact and abraded skin of rabbits.

 

Based on the available data for the target and read across substances and applying the weight of evidence approach, it can be concluded that chemical Isononyl acetate (CAS No: 40379-24-6) is unable to cause skin irritation and considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.

 

Eye irritation:

In different studies, Isononyl acetate (CAS No: 40379-24-6) has been investigated for potential for ocular irritation to a greater or lesser extent.The studies are based on in vivo experiments in rabbits for target chemicalIsononyl acetate (CAS No: 40379-24-6) and its structurally similar read across substancesIsoamyl salicylate(CAS No: 87-20-7)andn-butyl acetate (CAS No: 123-86-4).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 chemicalIsononyl acetate (CAS No: 40379-24-6) .The chemical Isononyl acetate (CAS No: 40379-24-6) is estimated to be not irritating to eye of New Zealand White rabbits.

 

The above result was supported by the experimental study carried out by A. Lapczynski , L. Jones, D. McGinty, S. Bhatia, C.S. Letizia, A.M. Api (2007) forstructurally similar read across substanceisoamyl salicylate (CAS No: -87-20-7)on rabbits. 15% and 100% isoamyl salicylate was instilled into the lower eyelids of 6 rabbits. No irritation was observed with 15% isoamyl salicylate. Irritation was observed in 1 rabbit with neat (100%) isoamyl salicylate. Thus, under the conditions of the test, isoamyl salicylate(CAS No: -87-20-7) was not considered to be a primary eye irritant.

 

The above results were further supported by an eye irritation study reported by ECETOC (1998) forstructurally similar read across substancen-butyl acetate (CAS No: 123-86-4). 0.1 ml of n-butyl acetate was instilled into the conjunctival sac of 4 New Zealand White rabbits. Observations were made after 1 hour, 4 hours and then 1, 2, 3 and 7 days after instillation of test chemical. The scoring was done according to the Draize method. Conjunctival redness and chemosis was observed in all animals after 1 day of observation. The MMAS (Maximum Modified Average Score) of n-butyl acetate was 7.5 after 1 day of observation. The effects were recovered fully after 7 days and the MMAS scores were 0.0. Based on the observations, n-butyl acetate (CAS No: 123-86-4) can be considered to be not irritating to rabbit eyes.

 

Based on the available data for the target and read across substances and applying the weight of evidence approach, it can be concluded that chemical Isononyl acetate (CAS No: 40379-24-6) is unable to cause skin irritation and considered as not irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.

Justification for classification or non-classification

The skin and eye irritation potential of test chemicalIsononyl acetate (CAS No: 40379-24-6) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicate that the chemical Isononyl acetateis unlikely to cause skin and eye irritation. HenceIsononyl acetate (CAS No: 40379-24-6)can be classified under the category “Not Classified” for skin and eye as per CLP.