Heptan-3-one is a dialkyl ketone with butyl and ethyl as the two alkyl groups.
Definition
Heptan-3-one is a dialkyl ketone with butyl and ethyl as the two alkyl groups. It has a role as a metabolite and a biomarker.
Source: PubChem
US FDA substance register · UNII 10GA6SR3AT · registered name 3-HEPTANONE · 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
- 106-35-4
- EC No.EU chemical inventory number
- 203-388-1
- DTXSIDUS EPA chemical ID
- DTXSID2047438
- DTXCIDUS EPA compound ID
- DTXCID0027438
- IUPAC
- Heptan-3-one
- Molecular formula
- C7H14O
- Molecular weight
- 114.188 g/mol
Measured properties
- Appearance
- Ethyl butyl ketone is a colorless odorless liquid with a mild fruity odor. Flash point 140 °F. · Colorless liquid with a powerful, fruity odor, [NIOSH]
- Odour
- GREEN ODOR · Powerful, fruity odor
- Boiling point
- 297 °F at 760 mmHg (USCG, 1999) · 147 °C
- Melting point
- -38 °F (USCG, 1999) · -39 °C
- Solubility
- 1 % (NIOSH, 2024) · Slightyl soluble in carbon tetrachloride, miscible in ethanol, ether
- Density
- 0.818 (USCG, 1999) - Less dense than water, will float · 0.8183 at 20 °C/4 °C
- Colour
- colourless
- Melting/freezing point
- -39 ℃
- Initial boiling point and range
- 147 ℃
- Flash point
- 46 ℃
- Evaporation rate
- 0.45
- Flammability (solid, gas)
- flammable
- Upper/lower flammability or explosive limits
- 8.8 / 1.4 %
- Vapour pressure
- 187 ㎜Hg (25℃)
- Water solubility
- 0.43 g/100㎖ (20℃)
- Vapour density
- 3.93
- Relative density
- 0.8
- n-Octanol/water partition coefficient (Kow)
- 1.73 (EST)
- Viscosity
- 0.84 (20℃)
- Molecular weight
- 114.19
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 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
Irritation and sensitisation studies
2 skin studies and 3 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 5 studies
- Not classified
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Category 2B
Eye Irritation · Screening - Eye Irrit. 2
Eye Irritation · Authoritative
Source: US EPA CompTox dashboard
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 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
- Wikipedia · English · Japanese · Chinese