Butyl octanoate is an octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol.
Definition
Butyl octanoate is an octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol. It has a role as a metabolite. It is functionally related to a butan-1-ol.
Source: PubChem
US FDA substance register · UNII 4I64Y9N2WO · registered name BUTYL OCTANOATE · 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
- 589-75-3
- EC No.EU chemical inventory number
- 209-659-0
- DTXSIDUS EPA chemical ID
- DTXSID0060432
- DTXCIDUS EPA compound ID
- DTXCID1042495
- IUPAC
- Butyl octanoate
- Molecular formula
- C12H24O2
- Molecular weight
- 200.322 g/mol
Measured properties
- Melting/freezing point
- -42 ℃
- Initial boiling point and range
- 240 ℃
- Flash point
- 124 ℃
- Vapour pressure
- 0.031 ㎜Hg
- Water solubility
- 3.52 g/100㎖
- Relative density
- 0.86
- n-Octanol/water partition coefficient (Kow)
- 4.79
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 3 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.
- Fragrance2
- Flavouring and nutrient1
Source: US EPA CompTox dashboard
Linked databases 13
- 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
- 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