Allyl butyrate

Endpoint summary

Description of key information

A Human maximisation test was carried out in 28 volunteers to determine skin sensitization potential caused by the chemicalAllyl butyrate(CAS No: 2051-78-7). Each subject was treated with 4% ofAllyl butyratein petrolatum dermally and later observed for any signs of contact allergy. None of the volunteer showed any signs of contact sensitization. Hence the chemicalAllyl butyrate(CAS No: 2051-78-7) wasconsidered to be not sensitizing to theskin of human volunteers.

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation: in vivo (non-LLNA)

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 reviwed journal.

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

A Human maximisation test was carried out in 28 volunteers to determine skin sensitization potential caused by the chemical Allyl butyrate (CAS No: 2051-78-7).

GLP compliance:

not specified

Type of study:

other: Human maximisation test

Justification for non-LLNA method:

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:

other: human

Strain:

other: not specified

Sex:

not specified

Details on test animals and environmental conditions:

No data available

Route:

intradermal and epicutaneous

Vehicle:

petrolatum

Concentration / amount:

4%

Day(s)/duration:

48 hours

Adequacy of induction:

not specified

No.:

#1

Route:

epicutaneous, occlusive

Vehicle:

petrolatum

Concentration / amount:

4%

Day(s)/duration:

48 hours

Adequacy of challenge:

not specified

No. of animals per dose:

28

Details on study design:

No data available

Challenge controls:

No data available

Positive control substance(s):

not specified

Key result

Reading:

1st reading

Hours after challenge:

48

Group:

test chemical

Dose level:

4%

No. with + reactions:

0

Total no. in group:

28

Clinical observations:

No signs of sensitization were observed.

Remarks on result:

no indication of skin sensitisation

Cellular proliferation data / Observations:

No signs of sensitization were observed.

Interpretation of results:

other: not sensitizing

Conclusions:

The test material Allyl butyrate (CAS No: 2051-78-7) was considered to be not sensitizing to the skin of human volunteers.

Executive summary:

A Human maximisation test was carried out in 28 volunteers to determine skin sensitization potential caused by the chemicalAllyl butyrate(CAS No: 2051-78-7).

 

Each subject was treated with 4% ofAllyl butyratein petrolatum dermally and later observed for any signs of contact allergy.

 

None of the volunteer showed any signs of contact sensitization. Hence the chemical Allyl butyrate(CAS No: 2051-78-7) wasconsidered to be not sensitizing to theskin of human volunteers.

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information:

Various studieshas been investigated for the test chemicalAllyl butyrate (CAS No: 2051-78-7)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs and humans for target chemicalAllyl butyrate (CAS No: 2051-78-7) and its structurally similar read across substanceEthyl butyrate (CAS No: 105-54-4) and Ethyl caprylate (CAS No: 106-32-1).The predicted data usingOECD QSAR toolbox andDanishQSAR databasethe has also been compared with the experimental data and summarized as below;

 

The D. L. J. Opdyke (1977)carried outaHuman maximisation test in 28 volunteers to determine skin sensitization potential caused by the chemicalAllyl butyrate(CAS No: 2051-78-7). Each subject was treated with 4% ofAllyl butyratein petrolatum dermally and later observed for any signs of contact allergy. None of the volunteer showed any signs of contact sensitization. Hence the chemicalAllyl butyrate(CAS No: 2051-78-7) wasconsidered to be not sensitizing to theskin of human volunteers.

 

According to Danish QSAR database , the skin sensitization effects were estimated by using four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra forchemical Allyl butyrate (CAS No: 2051-78-7). Based on estimation, no skin sensitization reactions were observed in guinea pigs and humans. Therefore,Allyl butyrate (CAS No: 2051-78-7)was considered to be not sensitizing.

 

 

 

The skin sensitization potential of Allyl butyrate (CAS No: 2051-78-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The substance Allyl butyrate (CAS No: 2051-78-7) was estimated to be not sensitising to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Allyl butyrate (CAS No: 2051-78-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.

 

 

The G. Klecak (1985) conducted an Open Epicutaneous Test (OET) ofstructurally similar read acrosschemical Ethyl butyrate (CAS No: 105-54-4) on guinea pigs which supports the above results. On day 1 during induction, 0.1 ml of Ethyl butyrate the was applied at concentrations of 100%, 30%, 10%, 3%, 1%, or 0.3% in vehicle to an area measuring 8 cm2 on the clipped flank skin of the guinea pigs. The applications are repeated daily for 3 weeks or done 5 times weekly during 4 weeks, usually on the same skin sites. The application sites were left uncovered and the reactions, if continuous daily applications were performed, can be read 24 h after each application, or at the end of each week. To determine whether or not contact sensitization was induced, all groups of guinea pigs previously treated for 21 days, as well as 10 untreated, or only pretreated with the vehicle, controls are tested on days 21 and 35 on the contralateral flank with the test material. This test was performed by applying with a pipette 0.025 ml of each concentration to skin areas measuring 2 cm2. The reactions were read after 24, 48 and/or 72h. None of the treated guinea pigs showed any signs of skin sensitization at challenge concentration of 5%.Thus the chemicalEthyl butyrate (CAS No: 105-54-4)was considered to be not sensitizing on skin of guinea pigs in an Open Epicutaneous Test (OET).

 

The above results were further supported by the skin sensitization study conducted by D. L. J. Opdyke (1976) for thesimilar read acrosschemical Ethyl caprylate (CAS No: 106-32-1) was conducted 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 chemical, supporting studies and read across substance,it can be concluded thatchemical Allyl butyrate (CAS No: 2051-78-7) is unable to cause skin sensitization and considered as not sensitizing .Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The skin sensitization potential of test substance Allyl butyrate (CAS No: 2051-78-7) and its structurally similar read across substances Ethyl butyrate (CAS No: 105-54-4) and Ethyl caprylate (CAS No: 106-32-1)were observed in various studies. From the results obtained from these studies it is concluded that the chemical Allyl butyrate (CAS No: 2051-78-7) is not likely to cause skin sensitization and hence can be classified as non skin sensitizer.