Allyl butyrate

Endpoint summary

Description of key information

Skin irritation:

Skin irritation study of Allyl butyrate (CAS No: 2051-78-7) was conducted on rabbits to determine the degree of skin irritancy.Each rabbit received neatAllyl butyrate on intact and abraded skin for 24 hours under occlusive condition and later observed for skin lesions.Since the treated rabbits showed moderate signs of irritation, the chemicalAllyl butyrate (CAS No: 2051-78-7)was considered to be irritating to theintact and abraded skin of rabbits and can be classified under the category ˋ“Category 2”’ as per CLP regulation.

Eye irritation:

The ocular irritation potential of Allyl butyrate (CAS No: 2051-78-7) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance Allyl butyrate (CAS No: 2051-78-7)) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result Allyl butyrate (CAS No: 2051-78-7) can be considered to be irritating to eye and can be classified under the category ˋ“Category 1” 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 journals

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Skin irritation study of Allyl butyrate (CAS No: 2051-78-7) was conducted on human subjects 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 the test chemical: 2-Propen-1-yl butanoate
Common name: Allyl butyrate
Molecular Formula: C7H12O2
Molecular Weight: 128.17 g/mol
Substance Type: Organic
Physical State: Liquid

Species:

other: Human

Strain:

other: Not applicable

Details on test animals or test system and environmental conditions:

no data available

Type of coverage:

occlusive

Preparation of test site:

not specified

Vehicle:

other: Petrolatum

Controls:

not specified

Amount / concentration applied:

4%

Duration of treatment / exposure:

48 hours

Observation period:

48 hours

Number of animals:

no data available

Details on study design:

no data available

Other effects / acceptance of results:

no data available

Irritation parameter:

overall irritation score

Basis:

mean

Time point:

48 h

Reversibility:

not specified

Remarks on result:

positive indication of irritation

Irritant / corrosive response data:

Moderate irritation was observed

Interpretation of results:

Category 2 (irritant) based on GHS criteria

Conclusions:

The test material Allyl butyrate (CAS No: 2051-78-7) was considered to be moderately irritating to the skin of human subjects.

Executive summary:

Skin irritation study ofAllyl butyrate(CAS No: 2051-78-7) was conducted on human subjects to determine the degree of skin irritancy caused by the chemical.

 

Each subject was treated with 4% ofAllyl butyratein petrolatum dermally for 48 hours under a closed path patch.

 

Since low grade irritation responses were observed after a 48-hr closed-patch, the chemicalAllyl butyrate(CAS No: 2051-78-7)was considered to be irritating to theskin of human subjects.

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): Allyl butyrate
- Molecular formula: C7H12O2
- Molecular weight: 128.17 g/mol
- Smiles notation: C(OCC=C)(CCC)=O
- InChl: 1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
- Substance type: Organic
- Physical state: Liquid

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):

72 hours

Duration of post- treatment incubation (in vitro):

No data available

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:

eye irritation was observed.

Estimation method: Takes mode value from the 7 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 ( not "l") )  )  and ("m" and ( not "n") )  )  and ("o" and ( not "p") )  )  and ("q" and ( not "r") )  )  and ("s" and ( not "t") )  )  and ("u" and ( not "v") )  )  and ("w" and ( not "x") )  )  and ("y" and ( not "z") )  )  and ("aa" and ( not "ab") )  )  and ("ac" and ( not "ad") )  )  and ("ae" and ( not "af") )  )  and ("ag" and ( not "ah") )  )  and ("ai" and ( not "aj") )  )  and ("ak" and ( not "al") )  )  and ("am" and ( not "an") )  )  and ("ao" and ( not "ap") )  )  and ("aq" and ( not "ar") )  )  and ("as" and ( not "at") )  )  and ("au" and ( not "av") )  )  and ("aw" and ( not "ax") )  )  and ("ay" and ( not "az") )  )  and ("ba" and ( not "bb") )  )  and ("bc" and ( not "bd") )  )  and "be" )  and "bf" )  and ("bg" and "bh" )  )

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 SN2 AND SN2 >> SN2 Reaction at a sp3 carbon atom AND SN2 >> SN2 Reaction at a sp3 carbon atom >> Activated alkyl esters and thioesters  by Protein binding by OASIS v1.3

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as SN2 AND SN2 >> SN2 reaction at sp3 carbon atom AND SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals by Protein binding by OECD

Domain logical expression index: "d"

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

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as (!Undefined)Group All Lipid Solubility < 0.01 g/kg AND (!Undefined)Group C Surface Tension > 62 mN/m by Skin irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as (!Undefined)Group CN Lipid Solubility < 0.4 g/kg OR (!Undefined)Group CNHal Lipid Solubility < 4 g/kg OR (!Undefined)Group CNHal Lipid Solubility < 400 g/kg OR (!Undefined)Group CNS Surface Tension > 62 mN/m OR Group All log Kow < -3.1 OR Group All log Kow > 9 OR Group All Melting Point > 200 C OR Group C Aqueous Solubility < 0.0001 g/L OR Group C Melting Point > 55 C OR Group C Molecular Weight > 350 g/mol OR Group C Vapour Pressure < 0.0001 Pa OR Group CHal log Kow > 4.5 OR Group CHal Melting Point > 65 C OR Group CHal Molecular Weight > 280 g/mol OR Group CHal Molecular Weight > 370 g/mol OR Group CN Aqueous Solubility < 0.0001 g/L OR Group CN Aqueous Solubility < 0.1 g/L OR Group CN log Kow > 4.5 OR Group CN Melting Point > 180 C OR Group CN Molecular Weight > 290 g/mol OR Group CN Molecular Weight > 540 g/mol OR Group CN Vapour Pressure < 0.001 Pa OR Group CNHal Aqueous Solubility < 0.001 g/L OR Group CNHal Aqueous Solubility < 0.1 g/L OR Group CNHal log Kow > 3.8 OR Group CNHal Molecular Weight > 370 g/mol OR Group CNHal Molecular Weight > 380 g/mol OR 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: "g"

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: "h"

Referential boundary: The target chemical should be classified as Acid anhydrides OR Aldehydes OR Aliphatic alpha-halogen-esters OR Esters including acrylic and methacrylic esters OR Ethylenglycolethers OR Ketones OR Phenols OR Quaternary organic ammonium compounds by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "i"

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

Domain logical expression index: "j"

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

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as SN2 AND SN2 >> SN2 Reaction at a sp3 carbon atom AND SN2 >> SN2 Reaction at a sp3 carbon atom >> Activated alkyl esters and thioesters  by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as SN2 >> Nucleophilic substitution at sp3 carbon atom >> Phosphonates OR SN2 >> Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >> Epoxides, Aziridines and Sulfuranes  by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as SN2 AND SN2 >> SN2 Reaction at a sp3 carbon atom AND SN2 >> SN2 Reaction at a sp3 carbon atom >> Activated alkyl esters and thioesters  by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as SN2 >> Nucleophilic substitution at sp3 carbon atom OR SN2 >> Nucleophilic substitution at sp3 carbon atom >> (Thio)Phosphates  OR SN2 >> Nucleophilic substitution at sp3 carbon atom >> Alkyl halides  by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as SN2 AND SN2 >> SN2 Reaction at a sp3 carbon atom AND SN2 >> SN2 Reaction at a sp3 carbon atom >> Activated alkyl esters and thioesters  by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "p"

Referential boundary: The target chemical should be classified as SN2 >> Interchange reaction with sulphur containing compounds OR SN2 >> Interchange reaction with sulphur containing compounds >> Thiols and disulfide compounds  by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as SN2 AND SN2 >> SN2 Reaction at a sp3 carbon atom AND SN2 >> SN2 Reaction at a sp3 carbon atom >> Activated alkyl esters and thioesters  by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "r"

Referential boundary: The target chemical should be classified as Acylation by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "s"

Referential boundary: The target chemical should be classified as (!Undefined)Group All Lipid Solubility < 0.01 g/kg by Eye irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "t"

Referential boundary: The target chemical should be classified as Group C Aqueous Solubility < 0.0005 g/L by Eye irritation/corrosion Exclusion rules by BfR

Domain logical expression index: "u"

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: "v"

Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Shiff base formation after aldehyde release OR AN2 >> Shiff base formation after aldehyde release >> Specific Acetate Esters OR SN1 OR SN1 >> Nucleophilic attack after carbenium ion formation OR SN1 >> Nucleophilic attack after carbenium ion formation >> Specific Acetate Esters OR SN2 OR SN2 >> Acylation OR SN2 >> Acylation >> Specific Acetate Esters OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate Esters by DNA alerts for AMES, MN and CA by OASIS v.1.3

Domain logical expression index: "w"

Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements

Domain logical expression index: "x"

Referential boundary: The target chemical should be classified as Halogens by Groups of elements

Domain logical expression index: "y"

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

Domain logical expression index: "z"

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

Domain logical expression index: "aa"

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

Domain logical expression index: "ab"

Referential boundary: The target chemical should be classified as Saturated heterocyclic fragment OR Silane by Organic Functional groups

Domain logical expression index: "ac"

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

Domain logical expression index: "ad"

Referential boundary: The target chemical should be classified as Nitrile OR Phosphinate ester OR Sulfide by Organic Functional groups

Domain logical expression index: "ae"

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

Domain logical expression index: "af"

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

Domain logical expression index: "ag"

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

Domain logical expression index: "ah"

Referential boundary: The target chemical should be classified as Fused carbocyclic aromatic by Organic Functional groups

Domain logical expression index: "ai"

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

Domain logical expression index: "aj"

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

Domain logical expression index: "ak"

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

Domain logical expression index: "al"

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

Domain logical expression index: "am"

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

Domain logical expression index: "an"

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

Domain logical expression index: "ao"

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

Domain logical expression index: "ap"

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

Domain logical expression index: "aq"

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

Domain logical expression index: "ar"

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

Domain logical expression index: "as"

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

Domain logical expression index: "at"

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

Domain logical expression index: "au"

Referential boundary: The target chemical should be classified as Allyl AND Carboxylic acid ester AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "av"

Referential boundary: The target chemical should be classified as Isopropyl by Organic Functional groups (nested)

Domain logical expression index: "aw"

Referential boundary: The target chemical should be classified as Allyl AND Carboxylic acid ester AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "ax"

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

Domain logical expression index: "ay"

Referential boundary: The target chemical should be classified as Allyl AND Carboxylic acid ester AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "az"

Referential boundary: The target chemical should be classified as Alkane, branched with tertiary carbon by Organic Functional groups (nested)

Domain logical expression index: "ba"

Referential boundary: The target chemical should be classified as Allyl AND Carboxylic acid ester AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "bb"

Referential boundary: The target chemical should be classified as Alkane branched with quaternary carbon by Organic Functional groups (nested)

Domain logical expression index: "bc"

Referential boundary: The target chemical should be classified as Allyl AND Carboxylic acid ester AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "bd"

Referential boundary: The target chemical should be classified as Alcohol by Organic Functional groups (nested)

Domain logical expression index: "be"

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

Domain logical expression index: "bf"

Similarity boundary:Target: CCCC(=O)OCC=C
Threshold=100%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "bg"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.39

Domain logical expression index: "bh"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.35

Interpretation of results:

Category 1 (irreversible effects on the eye)

Conclusions:

The substance Allyl butyrate (CAS No: 2051-78-7)) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result Allyl butyrate (CAS No: 2051-78-7) can be considered to be irritating to eye.

Executive summary:

The ocular irritation potential of Allyl butyrate (CAS No: 2051-78-7) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance Allyl butyrate (CAS No: 2051-78-7)) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result Allyl butyrate (CAS No: 2051-78-7) can be considered to be irritating to eye and can be classified under the category ˋ“Category 1” 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 chemicalAllyl butyrate (CAS No: 2051-78-7)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 chemicalAllyl butyrate (CAS No: 2051-78-7) and its structurally similar read across substancesButyl acrylate [CAS: 141-32-2]andEthyl caprylate (CAS No: 106-32-1).The predicted data using the OECD QSAR toolboxdatabasehas also been compared with the experimental data and summarized as below;

 

The D. L. J. Opdyke (1979)carried outSkin irritation study of target chemical Allyl butyrate (CAS No: 2051-78-7) on rabbits and humans to determine the degree of skin irritancy caused by the chemical as below;

In case of rabbits,each rabbit received neatAllyl butyrateon intact and abraded skin for 24 hours under occlusive condition and later observed for skin lesions.The treated rabbits showed moderate signs of irritation.

In human study, each subject was treated with 4% of Allyl butyratein petrolatum dermally for 48 hours under a closed path patch.Low grade irritation responses were observed after a 48-hr closed-patch.

Since in both the cases, known signs of skin irritating effects were observed, the chemicalAllyl butyrate (CAS No: 2051-78-7)was considered to be 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 chemicalAllyl butyrate (CAS No: 2051-78-7) .The chemical Allyl butyrate (CAS No: 2051-78-7)is estimated to be irritating to skin of New Zealand White albino rabbits.

 

These results were further supported by the experimental study summarized in TOXICOLOGY AND APPLIED PHARMACOLOGY, 28,313-319 (1974); for the structurally similar read across substance, Butyl acrylate [CAS: 141-32-2]. Primary skin irritation on rabbits was recorded in a 10-grade ordinal series and was based upon the severest reaction that develops on the clipped abdominal skin of each of five albino rabbits within 24 hours of the uncovered application of 0.01 ml of undiluted sample or of solutions in water, propylene glycol, or acetone. Grade 1 indicates no irritation and Grade 2 the least visible capillary injection from the undiluted chemical. Grade 6 indicates necrosis when undiluted and Grade 10 indicates necrosis from a 0.01% solution. Primary Irritation score after 24 hours for butyl acrylate was Grade 3. Based on this grade, butyl acrylate can be considered slightly irritating to rabbit skin.

 

The above results were further supported by the skin irritation study conducted by D. L. J. Opdyke (1976) for thesimilar read acrosschemical Ethyl caprylate (CAS No: 106-32-1) on two different panels of human subjects to observe its irritation efficacy under occlusive condition.In this study, 2% ofEthyl caprylate in petrolatum was applied on skin of each subject under 48 hours closed patch condition and observed for skin lesions.None of the subject showed any skin reactions. Hence the test chemicalEthyl caprylate (CAS No: 106-32-1)was considered to be not irritating to the rabbit’s skin.

 

 

Based on the available data for the target as well as it read across substances and applying the weight of evidence approach, it can be concluded that Allyl butyrate (CAS No: 2051-78-7) was irritating to skin. Comparing the above annotations with the criteria of CLP regulation, Allyl butyrate (CAS No: 2051-78-7) can be classified under the category “Category 2”.

 

Eye Irritation:

In different studies, Allyl butyrate (CAS No: 2051-78-7) 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 chemicalAllyl butyrate (CAS No: 2051-78-7) and its structurally similar read across substancesVinyl propanoate [CAS: 105-38-4] and Allyl Methacrylate [CAS: 96-05-9].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 chemicalAllyl butyrate (CAS No: 2051-78-7) .The chemical Allyl butyrate (CAS No: 2051-78-7)is estimated to be irritating to eye of New Zealand White rabbits.

 

This result was supported by the experimental study summarized in American Industrial Hygiene Association Journal, 1962, 23:2, 95-107; for thestructurally similar read across substance, Vinyl propanoate [CAS: 105-38-4]. Eye injury in rabbits is recorded in a 10- grade ordinal series and is based upon the degree of corneal necrosis that results from instillation of various volumes and concentrations of chemical.Grade 1 indicates at most a very small area of necrosis resulting from 0.5 ml of undiluted chemical in the eye. Grade 5 indicates a so-called severe burn from 0.005 ml, and Grade 10 indicates a severe burn from 0.5 ml of a 1% solution in water or propylene glycol. Primary Irritation score after 24 hours for vinyl propanoate was Grade 2. In the acute eye irritation study conducted in albino rabbits, vinyl propanoate was considered to be slightly irritating to rabbit eyes.

 

These results were also supported by the experimental study summarized in American Industrial Hygiene Association Journal, Volume 30, 1969 - Issue 5, Pages 470-476; for the structurally similar read across substance, Allyl Methacrylate [CAS: 96-05-9].Eye injury in rabbits is recorded in a 10- grade ordinal series and is based upon the degree of corneal necrosis that results from instillation of various volumes and concentrations of chemical. Grade 1 indicates at most a very small area of necrosis resulting from 0.5 ml of undiluted chemical in the eye. Grade 5 indicates a so-called severe burn from 0.005 ml, and Grade 10 indicates a severe burn from 0.5 ml of a 1% solution in water or propylene glycol. Primary Irritation score after 24 hours for allyl methacrylate was Grade 2. In the acute eye irritation study conducted in albino rabbits, allyl methacrylate was considered to be slightly irritating to rabbit eyes.

 

Based on the available data for the target as well as it read across substances and applying the weight of evidence approach, it can be concluded that Allyl butyrate (CAS No: 2051-78-7) was irritating to eyes. Comparing the above annotations with the criteria of CLP regulation, Allyl butyrate (CAS No: 2051-78-7) can be classified under the category “Category 1”. 

Justification for classification or non-classification

The skin and eye irritation potential of test chemicalAllyl butyrate (CAS No: 2051-78-7) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicate that the chemicalAllyl butyrateis likely to cause skin and eye irritation. HenceAllyl butyrate (CAS No: 2051-78-7)can be classified under the category“Category 2”for skin and“Category 1”eye as per CLP.