Ethyl 3-oxohexanoate
ALDRICH/W368318 - ≥98%
Synonym: Ethyl butyrylacetate
CAS Number: 3249-68-1
Empirical Formula (Hill Notation): C8H14O3
Molecular Weight: 158.19
EC Number: 221-835-9
MDL Number: MFCD00009401
Linear Formula: CH3CH2CH2COCH2COOC2H5
Product Type: Chemical
application(s) | flavors and fragrances |
assay | ≥98% |
biological source | synthetic |
bp | 104 °C/22 mmHg (lit.) |
density | 0.989 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
InChI | 1S/C8H14O3/c1-3-5-7(9)6-8 |
InChI key | KQWWVLVLVYYYDT-UHFFFAOYSA |
organoleptic | berry; green; sweet |
Quality Level | 400 ![]() |
refractive index | n |
SMILES string | CCCC(=O)CC(=O)OCC |
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. |
Packaging: | 1 kg in glass bottle |
Packaging: | 100 g in glass bottle |
Packaging: | 5 kg in poly drum |
WGK Germany | WGK 3 |
Flash Point(F) | 194.0 °F - closed cup |
Flash Point(C) | 90 °C - closed cup |
Purity | ≥98% |
bp | 104 °C/22 mmHg (lit.) |
Density | 0.989 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 3683 |
UNSPSC | 12164502 |