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Diss Factsheets
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EC number: 203-116-1 | CAS number: 103-48-0
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- data is from peer reviewed journals
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- Fragrance material review on phenethyl isobutyrate
- Author:
- D. McGinty, C.S. Letizia, A.M. Api
- Year:
- 2 012
- Bibliographic source:
- Food and Chemical Toxicology, 50, (2012), S416–S419
- Reference Type:
- publication
- Title:
- A toxicological and dermatological assessment of aryl alkyl alcohol simple acid ester derivatives when used as fragrance ingredients
- Author:
- The RIFM Expert Panel- D. Belsito , D. Bickers , M. Bruze , P. Calow , M.L. Dagli , A.D. Fryer ,H. Greim , Y. Miyachi , J.H. Saurat , I.G. Sipes
- Year:
- 2 012
- Bibliographic source:
- Food and Chemical Toxicology, 50, (2012), S269–S313
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Human maximization test
- Principles of method if other than guideline:
- Human maximization test was carried out to determine the allergenic potential of Phenethyl isobutyrate
- GLP compliance:
- not specified
- Type of study:
- other: Human maximization test
- Justification for non-LLNA method:
- not specified
Test material
- Reference substance name:
- Phenethyl isobutyrate
- EC Number:
- 203-116-1
- EC Name:
- Phenethyl isobutyrate
- Cas Number:
- 103-48-0
- Molecular formula:
- C12H16O2
- IUPAC Name:
- 2-phenylethyl 2-methylpropanoate
- Test material form:
- liquid
- Details on test material:
- Name of the test chemical: Phenethyl isobutyrate
IUPAC Name:2-phenylethyl 2-methylpropanoate
Molecular Formula:C12H16O2
Molecular Weight: 192.26 g/mol
Smiles: c1(CCOC(C(C)C)=O)ccccc1
InChI: 1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
Substance Type: Organic
Physical State: Colorless to slightly yellow liquid
Constituent 1
- Specific details on test material used for the study:
- Name of the test chemical: Phenethyl isobutyrate
IUPAC Name:2-phenylethyl 2-methylpropanoate
Molecular Formula:C12H16O2
Molecular Weight: 192.26 g/mol
Substance Type: Organic
Physical State: Colorless to slightly yellow liquid
In vivo test system
Test animals
- Species:
- other: humans
- Strain:
- not specified
- Sex:
- male
Study design: in vivo (non-LLNA)
Induction
- Route:
- epicutaneous, occlusive
- Vehicle:
- petrolatum
- Concentration / amount:
- 2% (1380 microgram/sq.cm)
- Day(s)/duration:
- 5 alternate days 48 hour periods
- Adequacy of induction:
- other: Before induction exposure, the patch sites were pre- treated for 24 h with 5% aqueous sodium lauryl sulfate (SLS) under occlusion.
Challenge
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- petrolatum
- Concentration / amount:
- 2% (1380 microgram/sq.cm)
- Day(s)/duration:
- 48 hours
- Adequacy of challenge:
- other: The challenge site was pretreated for 1 h with 10% SLS
- No. of animals per dose:
- 25 healthy male volunteers
- Details on study design:
- MAIN STUDY
A. INDUCTION EXPOSURE
- No. of exposures: 5
- Exposure period: 48 hours
- Test groups: 25 male volunteers
- Control group:
- Site: forearm
- Frequency of applications: 5 alternate days 48 hour periods
- Duration: 48 hours
- Concentrations: 2% in petrolatum
B. CHALLENGE EXPOSURE
- No. of exposures: single
- Day(s) of challenge: after 10 days of rest
- Exposure period: 48 hours
- Test groups: 25
- Control group:
- Site: fresh site on the back
- Concentrations: 2% in petrolatum
- Evaluation (hr after challenge): The challenge site was evaluated at 48 and 72 hours
OTHER: Before induction exposure, the patch sites were pre- treated for 24 h with 5% aqueous sodium lauryl sulfate (SLS) under occlusion. The challenge site was pretreated for 1 h with 10% SLS. - Positive control substance(s):
- not specified
Results and discussion
In vivo (non-LLNA)
Results
- Reading:
- 1st reading
- Hours after challenge:
- 72
- Group:
- test chemical
- Dose level:
- 2% in petrolatum
- No. with + reactions:
- 0
- Total no. in group:
- 25
- Clinical observations:
- no reactions observed
- Remarks on result:
- no indication of skin sensitisation
Applicant's summary and conclusion
- Interpretation of results:
- other: not sensitizing
- Conclusions:
- Phenethyl isobutyrate failed to induce sensitization reactions after 72 hours of challenge exposure in 25 healthy male volunteers.
Hence, Phenethyl isobutyrate can be considered to be not sensitizing to skin - Executive summary:
Human maximization test was carried out to determine the allergenic potential of Phenethyl isobutyrate.
2% (1380 microgram/sq.cm) test chemical in petrolatum was applied under occlusion to the same site of the forearms of 25 healthy male volunteers for 5 day alternate 48 hour periods. Prior to induction exposure, the patch sites were pretreated for 24 h with 5% aqueous sodium lauryl sulfate (SLS) under occlusion. After a rest period of 10 days, the challenge patches were applied to the fresh sites on the backs of the volunteers for 48 hours.The challenge site was pretreated for 1 h with 10% SLS. The patch sites were evaluated after 48 and 72 hours.
Phenethyl isobutyrate failed to induce sensitization reactions after 72 hours of challenge exposure in 25 healthy male volunteers.
Hence, Phenethyl isobutyrate can be considered to be not sensitizing to skin.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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