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Merck
CN

W200816

Sigma-Aldrich

Acetoin

≥96%, natural

Synonym(s):

3-Hydroxy-2-butanone, Acetylmethylcarbinol

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About This Item

Linear Formula:
CH3COCH(OH)CH3
CAS Number:
513-86-0
Molecular Weight:
88.11
FEMA Number:
2008
Beilstein:
385636
EC Number:
208-174-1
Council of Europe no.:
749c
MDL number:
MFCD00004521
UNSPSC Code:
12164502
PubChem Substance ID:
329830435
Flavis number:
7.051

Key Documents

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grade

Kosher
natural

Assay

≥96%

refractive index

n20/D 1.417 (lit.)

bp

148 °C (lit.)

mp

15 °C (monomer)
90 °C (dimer) (lit.)

density

1.013 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

creamy; dairy; fatty; milk; buttery

SMILES string

CC(O)C(C)=O

InChI

1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3

InChI key

ROWKJAVDOGWPAT-UHFFFAOYSA-N

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Other Notes

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Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H226,H318

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

118.4 °F - closed cup

Flash Point(C)

48 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
11423HI
11029PN
09613JN
09525LO
08012TO

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Jhonatan A Hernandez-Valdes et al.
Frontiers in microbiology, 11, 1032-1032 (2020-06-12)
Some secondary metabolites of fermentative bacteria are desired compounds for the food industry. Examples of these compounds are diacetyl and acetaldehyde, which are produced by species of the lactic acid bacteria (LAB) family. Diacetyl is an aromatic compound, giving the
Pieter Moons et al.
Applied and environmental microbiology, 77(10), 3422-3427 (2011-03-29)
During fermentation of sugars, a number of bacterial species are able to switch from mixed acid production to acetoin and 2,3-butanediol production in order to avoid lethal acidification of their environment, although the regulation of this switch is only poorly
Zhen Liu et al.
Bioresource technology, 102(22), 10741-10744 (2011-09-29)
Production of highly pure (2S,3S)-2,3-butanediol ((2S,3S)-2,3-BD) and (3S)-acetoin ((3S)-AC) in high concentrations is desirable but difficult to achieve. In the present study, glucose was first transformed to a mixture of (2S,3S)-2,3-BD and meso-2,3-BD by resting cells of Klebsiella pneumoniae CICC
Maria del Pilar Marquez-Villavicencio et al.
PloS one, 6(8), e22974-e22974 (2011-08-31)
Pectobacterium species are necrotrophic bacterial pathogens that cause soft rot diseases in potatoes and several other crops worldwide. Gene expression data identified Pectobacterium carotovorum subsp. carotovorum budB, which encodes the α-acetolactate synthase enzyme in the 2,3-butanediol pathway, as more highly
M Otsuka et al.
Journal of chromatography, 577(2), 215-220 (1992-06-10)
Acetoin was quantitatively oxidized into diacetyl by Fe3+ in 1 M perchloric acid. The reaction of diacetyl with 4,5-dichloro-1,2-diaminobenzene afforded 6,7-dichloro-2,3-dimethylquinoxaline (DCDMQ), which was extracted by benzene containing aldrin (25 ng/ml) as an internal standard, and determined by gas chromatography
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