3-hexanone is a dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an oxo group.
Definition
3-hexanone is a dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an oxo group. It has a role as an insect attractant, a plant metabolite, a human xenobiotic metabolite, a bacterial xenobiotic metabolite and a human urinary metabolite. It derives from a hydride of a hexane.
Source: PubChem
US FDA substance register · UNII P601A79G79 · registered name 3-HEXANONE · 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
- 589-38-8
- EC No.EU chemical inventory number
- 209-645-4
- DTXSIDUS EPA chemical ID
- DTXSID2021608
- DTXCIDUS EPA compound ID
- DTXCID501608
- IUPAC
- Hexan-3-one
- Molecular formula
- C6H12O
- Molecular weight
- 100.161 g/mol
Measured properties
- Appearance
- liquid
- Colour
- colourless
- Melting/freezing point
- -55.5 ℃
- Initial boiling point and range
- 123.5 ℃
- Flash point
- 23 ℃
- Vapour pressure
- 13.9 ㎜Hg(25℃, est.)
- Water solubility
- 14700 ㎎/ℓ(25℃)
- Vapour density
- 3.5
- Relative density
- 0.8118 (20℃)
- n-Octanol/water partition coefficient (Kow)
- 1.24 (est.)
- Molecular weight
- 100.18
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 4 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 nutrient2
Source: US EPA CompTox dashboard
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
- 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
- Wikipedia · English · Japanese · Chinese