CAS 112-06-1PubChem CID 8159
Heptyl acetate
Heptyl acetate is a colorless liquid. (USCG, 1999) — CAMEO Chemicals
- IUPAC name
- heptyl acetate
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24 g/mol
- Exact mass
- 158.130679813 Da
- XLogP3
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Heptanyl acetateAcetic acid, heptyl ester1-Heptyl acetateN-HEPTYL ACETATEAcetate C-7n-Heptyl ethanoateHeptyl ethanoateAcetic acid n-heptyl ester
16 more reported names
HEPTYLACETATEn-Heptyl acetate (natural)Heptanol acetateFEMA No. 2547EINECS 203-932-8NSC 3833NSC-3833BRN 1752297UNII-6551B78I5UAI3-020726551B78I5UHEPTYL ACETATE [FHFI]4-02-00-00162 (Beilstein Handbook Reference)RefChem:145724203-932-8ZCZSIDMEHXZRLG-UHFFFAOYSA-N
External database identifiers
- ChEBI:CHEBI:165651
- ChEMBL:CHEMBL2228455
- EPA DTXSID:DTXSID9047124
- PubMed:22384116
- PubMed:22319127
- PubMed:21818287
- PubMed:21811555
- PubMed:21577811
- PubMed:21042539
- PubMed:18957585
- PubMed:16332132
- PubMed:11682211
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match8159
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 378.5 °F at 760 mmHg (USCG, 1999) Source: CAMEO Chemicals
- Boiling Point: 192.00 to 193.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 192 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.875 (USCG, 1999) - Less dense than water; will float Source: CAMEO Chemicals
- Density: 0.87505(15 °C) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Flash Point: 154 °F (USCG, 1999) Source: CAMEO Chemicals
- Melting Point: -58.4 °F (USCG, 1999) Source: CAMEO Chemicals
- Melting Point: -50 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Heptyl acetate is a colorless liquid. (USCG, 1999) Source: CAMEO Chemicals
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: colourless liquid with a herbaceous, green, rose odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.411-1.417 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble in alcohol, ether; insoluble in water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- First Aid: INHALATION: Call a physician. Remove victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.; EYES: Flush with copious amounts of water for at least 15 minutes.; SKIN: Wash skin with soap and water. (USCG, 1999) Source: CAMEO Chemicals
- Note: This chemical does not meet GHS hazard criteria for 99.4% (317 of 319) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 317 of 319 companies (only 0.6% companies provided GHS information). 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 319 reports by companies from 3 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 317 of 319 reports by companies.; There are 2 notifications provided by 2 of 319 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)
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.