- IUPAC name
- octyl butanoate
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32 g/mol
- Exact mass
- 200.177630004 Da
- XLogP3
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
BUTANOIC ACID, OCTYL ESTERn-Octyl butyrateButyric acid, octyl estern-Octyl n-butyraten-Octyl butanoateOctyl butyrate (natural)octylbutyrateFEMA No. 2807
16 more reported names
Caprylyl ButyrateEINECS 203-762-4UNII-5YEU4O369LNSC-720325YEU4O369LAI3-24204NSC 72032OCTYL BUTYRATE [FHFI]WE(8:0/4:0)Butyric acid, octyl ester (8CI)RefChem:167876CAPRYLYL BUTYRATE [INCI]203-762-4PWLNAUNEAKQYLH-UHFFFAOYSA-NOctyl butyrate, >=98%, FGCHEBI:89726
External database identifiers
- ChEBI:CHEBI:89726
- ChEMBL:CHEMBL4634201
- EPA DTXSID:DTXSID9059387
- PubMed:22350520
- PubMed:21644181
- PubMed:19479964
- PubMed:18720025
- PubMed:17852385
- PubMed:12710728
- PubMed:12523562
- PubMed:12199501
- PubMed:11789951
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match61030
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 224.00 to 226.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 244 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.8549 (30 °C) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: -55.6 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: colourless liquid with a green herbaceous, parsley odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.421-1.434 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: very slightly Source: Human Metabolome Database (HMDB)
- Solubility: soluble in alcohol; practically 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 100% (240 of 240) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 240 of 240 companies. 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 240 reports by companies from 1 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 240 of 240 reports by companies.; There are 0 notifications provided by 0 of 240 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)
- Cosmetic Ingredient Review Conclusion: The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating. Source: Cosmetic Ingredient Review (CIR)
- Cosmetic Ingredient Review Finding(s): Safe for use in cosmetics, with qualifications Source: Cosmetic Ingredient Review (CIR)
- Cosmetic Ingredient Review Link: CIR ingredient: Caprylyl Butyrate Source: Cosmetic Ingredient Review (CIR)
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.