Methyl (S)-2-Methylbutanoate is a fatty acid ester.
Definition
Methyl (S)-2-Methylbutanoate is a fatty acid ester.
Source: PubChem
US FDA substance register · UNII OLG4D4939V · registered name METHYL 2-METHYLBUTYRATE · 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
- 868-57-5
- EC No.EU chemical inventory number
- 212-778-0
- DTXSIDUS EPA chemical ID
- DTXSID1052587
- DTXCIDUS EPA compound ID
- DTXCID2031160
- IUPAC
- Methyl 2-methylbutanoate
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
Measured properties
- Appearance
- almost colourless liquid/sweet, fruity, apple-like odour · liquid
- Boiling point
- 115 °C
- Solubility
- soluble in alcohol, most fixed oils, insoluble in water · (in ethanol)
- Density
- 0.879-0.883
- Melting/freezing point
- -68.43 ℃(EST)
- Initial boiling point and range
- 115 ℃
- Flash point
- 32 ℃
- Vapour pressure
- 22.5 ㎜Hg (EST at 25 deg C)
- Water solubility
- 3172 ㎎/ℓ (EST at 25 deg C)
- Relative density
- 0.88
- n-Octanol/water partition coefficient (Kow)
- 1.77 (EST)
- Molecular weight
- 116.16
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
Linked databases 13
- Australian Industrial Chemicals Inventory (AICIS)
- 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