- IUPAC name
- methyl heptanoate
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21 g/mol
- Exact mass
- 144.115029749 Da
- XLogP3
- 3.0
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Methyl enanthateHeptanoic acid methyl esterHeptanoic acid, methyl esterMethyl n-heptylateMethyl heptoateMethyl oenanthylateMethyl heptylateMethyl n-heptanoate
16 more reported names
Enanthic Acid Methyl EsterFEMA No. 2705Heptanoic acid-methyl esterMethyl ester of heptanoic acidMethyl Heptanoate(Heptanoic Acid Methyl Ester)1J543V5703Methyl heptylate (natural)Enanthic acid methylEINECS 203-428-8BRN 1747147methylheptanoateAI3-33581UNII-1J543V5703METHYL HEPTANOATE [FHFI]CHEBI:88620FEMA 2705
External database identifiers
- ChEBI:CHEBI:88620
- EPA DTXSID:DTXSID3059345
- PubMed:22575782
- PubMed:21818287
- PubMed:20140083
- PubMed:15884831
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:88620
Methyl heptanoate
- Formula
- C8H16O2
- Average mass
- 144.214 g/mol
- Monoisotopic mass
- 144.11503 Da
- Formal charge
- 0
Additional curated names
FEMA 2705Heptanoic acid methyl esterHeptanoic acid, methyl esterMethyl enanthateMethyl ester of heptanoic acidmethyl heptanoateMethyl heptoateMethyl heptylateMethyl N-heptanoateMethyl N-heptylateMethyl oenanthylate
Cross-references from this source
- CAS: 106-73-0 — KEGG COMPOUND
- MANUAL_X_REF: HMDB0031478 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match7826
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 174.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 173.8 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.87115 (20 °C) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -55.8 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: colourless liquid with a fruity, orris odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.4114-1.41334 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble in organic solvents Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 1.56 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Note: This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1450) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (11.2%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (97%): Causes skin irritation [Warning Skin corrosion/irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, 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 1450 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 1 of 1450 reports by companies.; There are 6 notifications provided by 1449 of 1450 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)
- Sources/Uses: Used as a flavoring agent; [FDA] 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.