Hexyl isovalerate
Hexyl 3-methylbutanoate is a fatty acid ester. — ChEBI
- IUPAC name
- hexyl 3-methylbutanoate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29 g/mol
- Exact mass
- 186.161979940 Da
- XLogP3
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:179380
- EPA DTXSID:DTXSID4064921
Evidence from additional scientific databases
EMBL-EBI ChEBI
Hexyl 3-methylbutanoate
- Formula
- C11H22O2
- Average mass
- 186.295 g/mol
- Monoisotopic mass
- 186.16198 Da
- Formal charge
- 0
- fatty acid ester — is a (CHEBI:35748)
- fatty acid ester — is a (CHEBI:35748)
Additional curated names
Cross-references from this source
- CAS: 10032-13-0 — ChemIDplus
- MANUAL_X_REF: 55377 — ChemSpider
- MANUAL_X_REF: HMDB0032044 — HMDB
- MANUAL_X_REF: LMFA07010908 — LIPID MAPS
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 215.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 215 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.853-0.857 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: colourless liquid/pungent, fruity odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.417-1.421 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble in alcohol, most fixed oils; 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)
- Note: This chemical does not meet GHS hazard criteria for 97.9% (92 of 94) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 92 of 94 companies (only 2.1% 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 94 reports by companies from 2 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 92 of 94 reports by companies.; There is 1 notification provided by 2 of 94 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 |
|---|---|---|
| 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.