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Diss Factsheets

Administrative data

Description of key information

The skin sensitization potential ofpentyl 2-phenylacetate (5137-52-0)was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substancespentyl 2-phenylacetate (5137-52-0) was predicted to be not sensitizing to the skin of female Pirbright-Hartley guinea pig.

 

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
Endpoint:
skin sensitisation: in vivo (non-LLNA)
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from Danish EPA Model.
Qualifier:
according to guideline
Guideline:
other: As mentioned below
Principles of method if other than guideline:
Allergic Contact Dermatitis in Guinea Pig and Human Prediction is done by using Danish QSAR Battery algorithm model.
GLP compliance:
not specified
Type of study:
other: not specified
Justification for non-LLNA method:
No data available
Specific details on test material used for the study:
- Name of test material (as cited in study report): Pentyl 2-phenylacetate
- Molecular formula : C13 H18 O2
- Molecular weight : 206.29 g/mol
- Substance type: Organic
- Physical state: liquid
- Purity: No data
- Impurities (identity and concentrations): No data
Species:
other: Guinea Pig and Human
Strain:
not specified
Sex:
not specified
Details on test animals and environmental conditions:
no data
Route:
other: no data
Vehicle:
not specified
Concentration / amount:
no data
Day(s)/duration:
no data
Adequacy of induction:
not specified
Route:
other: No data
Vehicle:
not specified
Concentration / amount:
no data
Day(s)/duration:
No data
Adequacy of challenge:
not specified
No. of animals per dose:
No data available
Details on study design:
No data available
Challenge controls:
No data available
Positive control substance(s):
not specified
Statistics:
No data available
Positive control results:
No data
Reading:
other: No data
Group:
test chemical
Dose level:
No data
Clinical observations:
No data
Remarks on result:
no indication of skin sensitisation

Domain applicability- In Domain

Interpretation of results:
other: Not sensitizing
Conclusions:
Prediction done using the Danish (Q) SAR Database, the skin sensitization was estimated to be negative on guinea pig and human for estimated Pentyl phenylacetate (5137-52-0). Using Battery algorithm model of Danish QSAR, Allergic Contact Dermatitis for Pentyl phenylacetate(5137-52-0) estimated to be not sensitizing when applied to human and guinea pig skin.
Executive summary:

Prediction done using the Danish (Q) SAR Database, the skin sensitization was estimated to be negative on guinea pig and human for estimatedPentyl phenylacetate (5137-52-0). Using Battery algorithm model of Danish QSAR, Allergic Contact Dermatitis for Pentyl phenylacetate(5137-52-0) estimated to be not sensitizing when applied to human and guinea pig skin.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)
Additional information:

Skin sensitization 

In different studies, pentyl 2-phenylacetate (5137-52-0) has been investigated for potential of skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pig and human for target chemical pentyl 2-phenylacetate (5137-52-0) and its structurally similar read across substancesphenethyl butyrate (CAS No: 103-52-6 )andBenzyl propionate (122-63-4) the predicted data using the OECD QSAR toolbox has also been compared with the experimental data of read across.

The skin sensitization potential of pentyl 2-phenylacetate (5137-52-0) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances pentyl 2-phenylacetate (5137-52-0) was predicted to be not sensitizing to the skin of female Pirbright-Hartley guinea pig.

Prediction done using the Danish (Q) SAR Database, the skin sensitization was estimated to be negative on guinea pig and human for estimated Pentyl 2-phenylacetate (5137-52-0). Using Battery algorithm model of Danish QSAR, Allergic Contact Dermatitis for Pentyl 2-phenylacetate (5137-52-0) estimated to be not sensitizing when applied to human and guinea pig skin.

 Supported by experimental study conducted by D. McGinty, C.S. Letizia, A.M. Api (Food and Chemical Toxicology, 50 (2012) S398–S401) to evaluate the skin sensitizing potential of read across substance phenethyl butyrate (CAS No: 103-52-6) in human. A human maximization assay was conducted to evaluate the sensitization potential of phenethyl butyrate (CAS No: 103-52-6). The assay was carried out with 8% (5520µg/cm2) phenethyl butyrate in petrolatum on 25 healthy male and female volunteers. Application was under occlusion to the same site on the forearm or back of all subjects for five alternate day 48 h periods. The patch sites were pre-treated for 24 h with 2.5% or 5% aqueous sodium lauryl sulfate (SLS) under occlusion. Following a 10 day rest period, challenge patches were applied to fresh sites on the back for 48 h under occlusion. The challenge site was pre-treated for 1 h with 5–10% SLS. The challenge patches were applied to fresh sites on the back for 48 h under occlusion. The challenge site was evaluated at 48 and 72 h.No reaction was observed in any human volunteers during the assay. Therefore Phenethyl butyrate phenethyl butyrate (CAS No: 103-52-6) was considered to be not sensitizing to human skin.

Also it is further Supported by experimental study conducted by D.L.J. Opdyke(Food and Cosmetics Toxicology. Vol. 13, Pg. 723, 1975) to evaluate the skin sensitizing potential of read across substance Benzyl propionate (122-63-4) in human. In skin sensitization study, 25 volunteers were tested by maximization test at a concentration of 4% in petrolatum. No reaction was observed therefore, the Benzyl propionate (122-63-4) was considered to be not sensitizing to humans.

Thus based on the above predictions on pentyl 2-phenylacetate (5137-52-0) as well as its read across and applying weight of evidence, it can be concluded that pentyl 2-phenylacetate (5137-52-0) is not a skin sensitizer. Thus comparing the above annotations with the criteria of CLP regulation, pentyl 2-phenylacetate (5137-52-0) can be considered as not classified for skin sensitization.

 

 

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification

Thus comparing the above annotations with the criteria of CLP regulation, pentyl 2-phenylacetate (5137-52-0) can be considered as not classified for skin sensitization.