Isobutyl butyrate is a butyrate ester resulting from the formal condensation of butanoic acid with isobutanol.
Definition
Isobutyl butyrate is a butyrate ester resulting from the formal condensation of butanoic acid with isobutanol. It is used as a food flavour ingredient for apple, banana, peach and pinapple flavours in ice cream and confectionery. It has a role as a metabolite and a flavouring agent. It is functionally related to an isobutanol.
Source: PubChem
US FDA substance register · UNII 827NDQ0P0W · registered name ISOBUTYL BUTYRATE · 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
- 539-90-2
- EC No.EU chemical inventory number
- 208-729-8
- DTXSIDUS EPA chemical ID
- DTXSID8047557
- DTXCIDUS EPA compound ID
- DTXCID6027557
- IUPAC
- 2-Methylpropyl butanoate
- Molecular formula
- C8H16O2
- Molecular weight
- 144.214 g/mol
Measured properties
- Appearance
- liquid
- Initial boiling point and range
- 156.9 ℃
- Flash point
- 50 ℃
- Vapour density
- 5.0
- Relative density
- 0.866
- n-Octanol/water partition coefficient (Kow)
- 2.76
- Molecular weight
- 144.24
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: 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 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
- 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 · Chinese