
2-Phenylethyl propionate
2-Phenylethyl propanoate is a member of benzenes. — ChEBI
- IUPAC name
- 2-phenylethyl propanoate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23 g/mol
- Exact mass
- 178.099379685 Da
- XLogP3
- 2.8
- 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:173825
- ChEMBL:CHEMBL1867360
- EPA DTXSID:DTXSID6035156
- PubMed:22406565
- PubMed:21864158
- PubMed:20204614
- PubMed:18570373
- PubMed:18381775
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 244.00 to 245.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 244-245 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Color/Form: Colorless liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 1.02 at 25/25 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: 1.010-1.021 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: < 25 °C Source: Human Metabolome Database (HMDB)
- Odor: Flower fruit odor Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless liquid with an odor of flowers or fruit; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Solid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless or yellowish slighty oily liquid; very sweet odour reminiscent of red rose with a fruity undertone Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.489-1.499 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Miscible with alcohols and ether Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Insoluble in water; soluble in oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Miscible at room temperature (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 0.05 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Note: This chemical does not meet GHS hazard criteria for 100% (1564 of 1564) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 1564 of 1564 companies. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1564 reports by companies from 1 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 1564 of 1564 reports by companies.; There are 0 notifications provided by 0 of 1564 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)
- Environmental Bioconcentration: An estimated BCF of 46 was calculated for 2-phenethyl propionate(SRC), using an estimated log Kow of 3.06(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 476(SRC), determined from a structure estimation method(2), indicates that 2-phenethyl propionate is expected to have moderate mobility in soil(SRC). Volatilization of 2-phenethyl propionate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.5X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 2-Phenethyl propionate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.051 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data for 2-phenethyl propionate were not available(SRC, 2006); however, biodegradation is expected to be an important environmental fate process because of the presence of an easily biodegraded ester functional group(5). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 476(SRC,2006), determined from a structure estimation method(2), indicates that 2-phenethyl propionate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.5X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Volatilization half-lives for a model river and model lake are 7 and 82 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 46(SRC), from an estimated log Kow of 3.06(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Biodegradation data for 2-phenethyl propionate were not available(SRC, 2006); however, biodegradation is expected to be an important environmental fate process because of the presence of an easily biodegraded ester functional group(8). Hydrolysis under alkaline conditions may be an important environmental fate process, given an estimated base-catalyzed hydrolysis half-life of 63 days at pH 8(9). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-phenethyl propionate, which has an estimated vapor pressure of 0.051 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the vapor-phase in the ambient atmosphere. Vapor-phase 2-phenethyl propionate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals. The half-life for this reaction in air is estimated as 2 days(SRC), from its rate constant of 8.3X10-12 cu cm/molecule-sec at 25 °C(SRC), derived using a structure estimation method(3). Source: Hazardous Substances Data Bank (HSDB)
- Industry Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used as an insect attractant of Japanese beetles in orchards; [HSDB] Used as flavoring agent or adjuvant; [ToxPlanet: FDA] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: For phenethyl propionate (USEPA/OPP Pesticide Code: 102601) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./ Source: Hazardous Substances Data Bank (HSDB)
- Uses: ...Used widely for monitoring new infestations of the Japanese beetle Popillia japonica and for removal trapping in orchards. Source: Hazardous Substances Data Bank (HSDB)
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 |
|---|---|---|
| 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.