Hexyl octanoate is an octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol.
Definition
Hexyl octanoate is an octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol. It has a role as a plant metabolite. It is functionally related to a hexan-1-ol.
Source: PubChem
US FDA substance register · UNII GU3S7YK802 · registered name HEXYL 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
- 1117-55-1
- EC No.EU chemical inventory number
- 214-247-9
- DTXSIDUS EPA chemical ID
- DTXSID8047636
- DTXCIDUS EPA compound ID
- DTXCID6027636
- IUPAC
- Hexyl octanoate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.376 g/mol
Measured properties
- Appearance
- liquid
- Melting/freezing point
- -30.6 ℃
- Initial boiling point and range
- 277.4 ℃
- Flash point
- 121 ℃
- Vapour pressure
- 0.00573 ㎜Hg
- Water solubility
- 0.5481 ㎎/ℓ
- Relative density
- 0.8603
- n-Octanol/water partition coefficient (Kow)
- 5.78
- Molecular weight
- 228.371
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 5 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.
- Fragrance3
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- 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