Hexyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol.
Definition
Hexyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol. It is a constituent found in passion fruit, apples, strawberries and wine. It has a role as a volatile oil component, a flavouring agent, a fragrance and a plant metabolite. It is functionally related to a hexan-1-ol.
Source: PubChem
US FDA substance register · UNII GI6FE1QMW6 · registered name HEXYL 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
- 6378-65-0
- EC No.EU chemical inventory number
- 228-952-4
- DTXSIDUS EPA chemical ID
- DTXSID3047552
- DTXCIDUS EPA compound ID
- DTXCID1027552
- IUPAC
- Hexyl hexanoate
- Molecular formula
- C12H24O2
- Molecular weight
- 200.322 g/mol
Measured properties
- Appearance
- Liquid · colourless to pale yellow oily liquid with a herbaceous odour
- Boiling point
- 245.00 to 246.00 °C. @ 760.00 mm Hg · 244-246 °C
- Melting point
- -55.00 °C. @ 760.00 mm Hg
- Solubility
- insoluble in water · 1 ml in 2 ml 70% alcohol (in ethanol)
- Density
- 0.855-0.863(20 °C)
- Melting/freezing point
- -55 ℃
- Initial boiling point and range
- 246 ℃
- Flash point
- 99 ℃
- Vapour pressure
- 0.03 ㎜Hg (at 25℃)
- Relative density
- 0.865
- n-Octanol/water partition coefficient (Kow)
- 4.79
- Molecular weight
- 200.318
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: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 48 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.
- Fragrance46
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Related literature
Linked databases 15
- 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 2
- 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