CAS 106-70-7PubChem CID 7824
Methyl hexanoate
Methyl hexanoate is a fatty acid methyl ester derived from hexanoic (caproic acid). It has a role as a flavouring agent and a plant metabolite. It is a fatty acid methyl ester and a hexanoate ester. — ChEBI
- IUPAC name
- methyl hexanoate
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18 g/mol
- Exact mass
- 130.099379685 Da
- XLogP3
- 2.5
- 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 caproateHexanoic Acid Methyl EsterHexanoic acid, methyl esterMethyl hexoateMethyl n-hexanoateMethyl capronateMethyl hexylateCaproic acid methyl ester
16 more reported names
FEMA No. 2708formyl hexanoateNSC-5023CHEBI:77322RefChem:157891203-425-1Methyl n-hexoateNSC 5023hexanoic acid-methyl esterCaproic acid, methyl estern-Caproic acid methyl esterMethyl ester of hexanoic acidHEXANOIC ACID,METHYL ESTERMethyl-d3HexanoateWE(1:0/6:0)methylhexanoate
External database identifiers
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:77322
methyl hexanoate
A fatty acid methyl ester derived from hexanoic (caproic acid).
- Formula
- C7H14O2
- Average mass
- 130.187 g/mol
- Monoisotopic mass
- 130.09938 Da
- Formal charge
- 0
- hexanoate ester — is a (CHEBI:87656)
- fatty acid methyl ester — is a (CHEBI:4986)
- flavouring agent — has role (CHEBI:35617)
- plant metabolite — has role (CHEBI:76924)
- flavouring agent — has role (CHEBI:35617)
- plant metabolite — has role (CHEBI:76924)
- hexanoate ester — is a (CHEBI:87656)
- fatty acid methyl ester — is a (CHEBI:4986)
Additional curated names
methyl hexanoateCaproic acid, methyl esterHexanoic acid, methyl esterMethyl caproateMethyl capronateMethyl hexoateMethyl hexylateMethyl n-hexanoate
Cross-references from this source
- CAS: 106-70-7 — ChemIDplus
- CAS: 106-70-7 — NIST Chemistry WebBook
- REGISTRY_NUMBER: 1744683 — Reaxys
- MANUAL_X_REF: HMDB0035238 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-10-23. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match7824
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 302 °F at 760 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 148.00 to 150.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 150-151 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.8846 at 68 °F (NTP, 1992) - Less dense than water; will float Source: CAMEO Chemicals
- Density: 0.880-0.889 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Flash Point: 163 °F (NTP, 1992) Source: CAMEO Chemicals
- Melting Point: -96 °F (NTP, 1992) Source: CAMEO Chemicals
- Melting Point: -71 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Methyl caproate is a clear colorless liquid. (NTP, 1992) Source: CAMEO Chemicals
- Physical Description: Clear colorless liquid; [CAMEO] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless to pale yellow liquid; Pineapple, ethereal aroma Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.402-1.409 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: less than 1 mg/mL at 72 °F (NTP, 1992) Source: CAMEO Chemicals
- Solubility: 1.33 mg/mL at 20 °C Source: Human Metabolome Database (HMDB)
- Solubility: Insoluble in water; soluble in propylene glycol and vegetable oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 1 mmHg at 41 °F ; 5 mmHg at 86 °F; 100 mmHg at 196.5 °F (NTP, 1992) Source: CAMEO Chemicals
- Vapor Pressure: 3.72 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- First Aid: EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.; SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.; INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whene Source: CAMEO Chemicals
- Note: This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1891) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (99.9%): Flammable liquid and vapor [Warning Flammable liquids] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, 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 1891 reports by companies from 8 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 1 of 1891 reports by companies.; There are 7 notifications provided by 1890 of 1891 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 flavoring agent or adjuvant; [FDA] Used as an intermediate for caproic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, and flavorings; [NTP] 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.