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EC number: 218-129-8 | CAS number: 2051-78-7
- 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
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
- 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.
Reference
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.
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