Skip to Content
Merck
CN
All Photos(1)

Key Documents

View All Documentation

Safety Information

W368318

Sigma-Aldrich

Ethyl 3-oxohexanoate

≥98%

Synonym(s):

Ethyl butyrylacetate

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CH3CH2CH2COCH2COOC2H5
CAS Number:
3249-68-1
Molecular Weight:
158.19
FEMA Number:
3683
Beilstein:
507689
EC Number:
221-835-9
MDL number:
MFCD00009401
UNSPSC Code:
12164502
PubChem Substance ID:
24901533
Flavis number:
9.542
NACRES:
NA.21
Organoleptic:
berry; green; sweet
biological source:
synthetic
food allergen:
no known allergens

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

Looking for similar products? Visit Product Comparison Guide

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.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

194.0 °F - closed cup

Flash Point(C)

90 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

新产品

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBB5679
STBB5679V
S56550V
S68891V
S68891-508

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Highly enantioselective bioreduction of ethyl 3-oxohexanoate.
de Souza Ramos A, et al.
Tetrahedron Letters, 52(46), 6127-6129 (2011)
Volatile components of banana fruit (Musa sapientum L.)?Indio? from Cuba.
Pino JA, et al.
J. Essent. Oil Res., 15(2), 79-80 (2003)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service