Methyl 3-methylbutanoate is a fatty acid ester.
Definition
Methyl 3-methylbutanoate is a fatty acid ester.
Source: PubChem
US FDA substance register · UNII QPS4788198 · registered name METHYL ISOVALERATE · single chemical substance
Cosmetic roles
Gives the product a scentPERFUMING
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
METHYL ISOVALERATEINCIButanoic acid, 3-methyl-, methyl esterSynonym
- CAS No.chemical registry number
- 556-24-1
- EC No.EU chemical inventory number
- 209-117-3
- DTXSIDUS EPA chemical ID
- DTXSID5060300
- DTXCIDUS EPA compound ID
- DTXCID2041911
- IUPAC
- Methyl 3-methylbutanoate
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
Measured properties
- Appearance
- Methyl isovalerate appears as a colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air. May be slightly toxic by ingestion and inhalation. Used to make other chemicals. · colourless liquid/herbaceous, fruity odour
- Boiling point
- 114.00 to 115.00 °C. @ 760.00 mm Hg · 115-117 °C
- Solubility
- soluble in alcohol, most fixed oils, insoluble water · (in ethanol)
- Density
- 0.852-0.857
- Colour
- colourless
- Initial boiling point and range
- 116.5 ℃
- Flash point
- -11 ℃
- Vapour pressure
- 14 ㎜Hg (20℃)
- Water solubility
- 2890 ㎎/ℓ ( 25℃)
- Vapour density
- &, gt, 1
- Relative density
- 0.881
- n-Octanol/water partition coefficient (Kow)
- 1.82
- Molecular weight
- 116.18
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: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 6 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 nutrient3
- Fragrance3
Source: US EPA CompTox dashboard
Linked databases 13
- 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