W368318

Ethyl 3-oxohexanoate

≥98%

• Synonym(s): Ethyl butyrylacetate
• Linear Formula: CH₃CH₂CH₂COCH₂COOC₂H₅
• CAS Number: 3249-68-1
• Molecular Weight: 158.19
• FEMA Number: 3683
• Beilstein/REAXYS Number: 507689
• EC Number: 221-835-9
• MDL number: MFCD00009401
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901533
• Flavis number: 9.542
• NACRES: NA.21

Properties

• biological source: synthetic
• assay: ≥98%
• refractive index: n20/D 1.427 (lit.)
• bp: 104 °C/22 mmHg (lit.)
• density: 0.989 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: berry; green; sweet
• SMILES string: CCCC(=O)CC(=O)OCC
• InChI: 1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
• InChI key: KQWWVLVLVYYYDT-UHFFFAOYSA-N

Description

General description

Ethyl 3-oxohexanoate is a volatile flavor ester that is reported to occur in banana fruit. It can undergo bioreduction to form ethyl (R)-3-hydroxyhexanoate, another key food flavoring agent.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 194.0 °F - closed cup
• flash_point_c: 90 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)