- IUPAC name
- prop-2-enyl hexanoate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22 g/mol
- Exact mass
- 156.115029749 Da
- XLogP3
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Allyl hexanoateHexanoic acid, allyl esterFEMA No. 20323VH84A363DNSC-20962RefChem:110871204-642-4Hexanoic acid, 2-propenyl ester
16 more reported names
2-PROPENYL HEXANOATE2-Propenyl n-hexanoateHexanoic acid, 2-propen-1-yl esterAllyl n-caproateprop-2-en-1-yl hexanoateAllylester kyseliny kapronoveAllOCOPenAllyl n-hexanoateallylhexanoateAllyl hexanoate (natural)CCRIS 6549EINECS 204-642-4NSC 20962Allylester kyseliny kapronove [Czech]Hexanoic Acid Allyl EsterBRN 1761920
External database identifiers
- ChEBI:CHEBI:171771
- ChEMBL:CHEMBL2229585
- EPA DTXSID:DTXSID1047653
- PubMed:22043838
- PubMed:21079734
- PubMed:16717034
- PubMed:11459693
- PubMed:8343148
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match31266
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 185.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 185 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.884-0.890 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: CBI; Dry Powder; Liquid; Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colourless to light yellow stable mobile liquid with fatty-fruity pineapple odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.422-1.426 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Insoluble in water and in propylene glycol, soluble in ethanol, fixed and organic oils, and soluble in organic solvents Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1ml in 6ml 70% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H301 (94.9%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (97.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (10.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331 (76.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H400 (80.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (11.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]; H411 (14%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]; H412 (78.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1663 reports by companies from 38 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; 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)
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H227: Combustible liquid [Warning Flammable liquids]; H301: Toxic if swallowed [Danger Acute toxicity, oral]; H311: Toxic in contact with skin [Danger Acute toxicity, dermal] Source: NITE-CMC
- Precautionary Statement Codes: P210, P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P370+P378, P403, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Signal: Danger Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H301: Toxic if swallowed [Danger Acute toxicity, oral]; H311: Toxic in contact with skin [Danger Acute toxicity, dermal] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Precautionary Statement Codes: P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement) Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Consumer Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
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.