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EC number: 225-895-7 | CAS number: 5137-52-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
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
- 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
- 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.
Reference
Domain applicability- In Domain
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.
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