Butyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with butan-1-ol.
Definition
Butyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with butan-1-ol. It is a volatile compound found in apples and peaches. It has a role as an insect attractant, a flavouring agent, a plant metabolite and a human metabolite. It is a volatile organic compound and a hexanoate ester. It is functionally related to a butan-1-ol.
Source: PubChem
US FDA substance register · UNII EBK588Q27T · registered name BUTYL HEXANOATE · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 626-82-4
- EC No.EU chemical inventory number
- 210-964-6
- DTXSIDUS EPA chemical ID
- DTXSID8060824
- DTXCIDUS EPA compound ID
- DTXCID0043422
- IUPAC
- Butyl hexanoate
- Molecular formula
- C10H20O2
- Molecular weight
- 172.268 g/mol
Measured properties
- Appearance
- liquid
- Melting/freezing point
- -64.3 ℃
- Molecular weight
- 172.27 (est.)
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: KOSHA safety data sheets (Korea)
What products actually use it for
What the 6 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Flavouring and nutrient3
- Fragrance3
Source: US EPA CompTox dashboard
Related literature
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem
- Tlooto literature search 2
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata