Heptan-3-ol is a secondary alcohol that is heptane substituted by a hydroxy group at position 3.
Definition
Heptan-3-ol is a secondary alcohol that is heptane substituted by a hydroxy group at position 3. It has a role as a plant metabolite. It is a heptanol and a secondary alcohol.
Source: PubChem
US FDA substance register · UNII 12YBT48HMK · registered name 3-HEPTANOL · 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
- 589-82-2
- EC No.EU chemical inventory number
- 209-661-1
- DTXSIDUS EPA chemical ID
- DTXSID50862251
- DTXCIDUS EPA compound ID
- DTXCID30811045
- IUPAC
- Heptan-3-ol
- Molecular formula
- C7H16O
- Molecular weight
- 116.204 g/mol
Measured properties
- Appearance
- Colorless liquid, [Alfa Aesar MSDS] · colourless oily liquid with a powerful, herbaceous odour
- Boiling point
- 66 °C (20 mm Hg)
- Solubility
- insoluble in water, soluble in alcohol · (in ethanol)
- Density
- 0.815-0.821
- Flammability (solid, gas)
- flammable
- Vapour pressure
- 0.74 (ChemID)
- Water solubility
- 4000 (NLM, ChemIDPlus)
- n-Octanol/water partition coefficient (Kow)
- 2.24 (est.)
- Molecular weight
- 116.2
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 3 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.
- Flavouring and nutrient2
- Fragrance1
Source: US EPA CompTox dashboard
Related literature
Linked databases 16
- 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
- Wikipedia · English · Japanese · Chinese