2-Phenylethyl Acetate
- IUPAC name
- 2-phenylethyl acetate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.20 g/mol
- Exact mass
- 164.083729621 Da
- XLogP3
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:31988
- ChEMBL:CHEMBL3184025
- EPA DTXSID:DTXSID7044506
- PubMed:22805835
- PubMed:22707838
- PubMed:22490328
- PubMed:22414644
- PubMed:22396119
- PubMed:22194838
- PubMed:22120647
- PubMed:22112913
- PubMed:21968739
- PubMed:21962939
- PubMed:21580057
- PubMed:21531033
Evidence from additional scientific databases
EMBL-EBI ChEBI
phenethyl acetate
The acetate ester of 2-phenylethanol.
- Formula
- C10H12O2
- Average mass
- 164.204 g/mol
- Monoisotopic mass
- 164.08373 Da
- Formal charge
- 0
- acetate ester — is a (CHEBI:47622)
- metabolite — has role (CHEBI:25212)
- Saccharomyces cerevisiae metabolite — has role (CHEBI:75772)
- 2-phenylethanol — has functional parent (CHEBI:49000)
- metabolite — has role (CHEBI:25212)
- Saccharomyces cerevisiae metabolite — has role (CHEBI:75772)
- acetate ester — is a (CHEBI:47622)
Additional curated names
Cross-references from this source
- CAS: 103-45-7 — KEGG COMPOUND
- CAS: 103-45-7 — NIST Chemistry WebBook
- CAS: 103-45-7 — ChemIDplus
- REGISTRY_NUMBER: 638179 — Reaxys
- MANUAL_X_REF: C12303 — KEGG COMPOUND
- MANUAL_X_REF: HMDB0033945 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2020-07-21. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 238.00 to 239.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 232 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 1.030-1.034 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- LogP: 2.30 Source: Human Metabolome Database (HMDB)
- Melting Point: -31.1 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless liquid with a fruity odor; [Alfa Aesar MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless liquid; very sweet, rosy-fruity honey-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.496-1.502 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Insoluble in water; soluble in oils, propylene glycol Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1 mL in 2 mL 70% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 0.3% (5 of 1937) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H318 (79.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (18.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1937 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 5 of 1937 reports by companies.; There are 8 notifications provided by 1932 of 1937 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Consumer Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used as a flavoring agent; [FDA] Used to make fragrances and perfumes, in industrial, professional, and consumer cleaning products, professional and consumer waxes and polishes, and consumer air care, biocidal products, personal care products, and cosmetics; [ECHA REACH Registrations] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.