Heptan-2-one is a dialkyl ketone with methyl and pentyl as the alkyl groups.
Definition
Heptan-2-one is a dialkyl ketone with methyl and pentyl as the alkyl groups. It has a role as a pheromone and a mouse metabolite. It is a dialkyl ketone and a methyl ketone.
Source: PubChem
US FDA substance register · UNII 89VVP1B008 · registered name 2-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
- 110-43-0
- EC No.EU chemical inventory number
- 203-767-1
- DTXSIDUS EPA chemical ID
- DTXSID5021916
- DTXCIDUS EPA compound ID
- DTXCID601916
- IUPAC
- Heptan-2-one
- Molecular formula
- C7H14O
- Molecular weight
- 114.188 g/mol
Measured properties
- Appearance
- N-amyl methyl ketone appears as a clear colorless liquid. Flash point 126 °F. Less dense than water and only slightly soluble in water. Hence floats on water. Vapors heavier than air. Density 6.8 lb / gal. Used as a synthetic flavoring and in perfumes. · CBI, Liquid
- Odour
- Penetrating fruity odor · CHARACTERISTIC BANANA, SLIGHTLY SPICY ODOR
- Boiling point
- 300 °F at 760 mmHg (USCG, 1999) · 151.5 °C at 760 mm Hg, 111 °C at 21 mm Hg
- Melting point
- -31 °F (USCG, 1999) · -35.5 °C
- Solubility
- 0.4 % (NIOSH, 2024) · Soluble in alcohol and ether
- Density
- 0.82 (USCG, 1999) - Less dense than water, will float · 0.8324 at 0 °C/4 °C, 0.8197 at 15 °C/4 °C, 0.8068 at 30 °C/4 °C
- Colour
- colourless
- Melting/freezing point
- -20 ℃
- Initial boiling point and range
- 148 ℃
- Flash point
- 41 ℃(at 101.41 kPa)
- Upper/lower flammability or explosive limits
- 5.5 / 1 %
- Vapour pressure
- 918 ㎩(25℃)
- Water solubility
- 4.21 g/ℓ(20℃, g/L)
- Relative density
- 0.814 (20℃)
- n-Octanol/water partition coefficient (Kow)
- 2.26 (30℃)
- Auto-ignition temperature
- 358 ℃
- Viscosity
- 0.979 ㎡/s(20℃)
- Molecular weight
- 114.1866
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 22 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.
- Solvent10
- Fragrance4
- Processing aids not otherwise specified2
- Flavouring and nutrient2
- Fuel1
- Intermediate1
- Cleaning agent1
- Binder1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
6 skin studies and 3 eye studies are on record.
The study conclusions largely agree (67%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 9 studies
- Classification not possible
Skin Sensitization · Screening - Not likely to be sensitizing
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) according to EU Method B.42 (Skin Sensitisation: Local Lymph Node Assay) - Skin corrosion/irritation - Category 2
Skin Irritation · Screening - Classification not possible
Skin Irritation · Screening - Category 6.3B (Category 3)
Skin Irritation · Read Across - Moderate or Mild Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Category 2B
Eye Irritation · Screening - Moderate or Mild Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to EU Method B.5 (Acute Toxicity: Eye Irritation / Corrosion) according to
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 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