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W200808

Sigma-Aldrich

Acetoin

primarily dimer, ≥95%, FG

Synonym(s):
3-Hydroxy-2-butanone, Acetylmethylcarbinol
Linear Formula:
CH3COCH(OH)CH3
CAS Number:
Molecular Weight:
88.11
FEMA Number:
2008
Beilstein:
385636
EC Number:
Council of Europe no.:
749
MDL number:
PubChem Substance ID:
Flavis number:
7.051
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 182.60

assay

≥95%

refractive index

n20/D 1.417 (lit.)

bp

148 °C (lit.)

mp

15 °C (monomer)
90 °C (dimer) (lit.)

solubility

acetone: soluble(lit.)
water: soluble(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

fragrance allergen

no known allergens

Organoleptic

butter; creamy; cheesy

storage temp.

2-8°C

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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General description

Acetoin is a volatile compound widely employed as flavour and fragrance compound in foods, cigarettes, cosmetics, detergents, chemical synthesis, plant growth promoters and biological pest controls. Acetoin is the main extracellular product of Bacilus subtilis grown on glucose and other fermentable carbon sources. It contributes to the aroma and flavor associated with alcoholic beverages. Production of acetoin by wine yeast fermentation has been reported. Acetoin is naturally present in buttery foods such as beer, butter and cheese. Determination of diacetyl and acetoin to evaluate the workplace exposures at a popcorn processing facility has been reported.
Acetoin is an acyloin derivative. In the presence of light and moisture it transforms into a white colored solid dimer. It is formed by the reduction of diacetyl. It has been synthesized from acetaldehyde.

Packaging

5, 25 kg in poly drum
1 kg in poly bottle

Legal Information

Additional information may be required prior to purchase of this material

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Sol. 2 - Skin Irrit. 2

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 1

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Protocols

GC Analysis of Volatiles in Roasted Coffee Beans on Omegawax® after SPME using a 50/30 µm DVB/Carboxen/PDMS Fiber

-Cymene; 2,5-Dimethylpyrrole; Acetoin, ≥96%, FCC, FG; 2,5-Dimethylpyrazine; 2,6-Dimethylpyrazine; 2-Ethylpyrazine, ≥98%, FG; 2,3-Dimethylpyrazine; 4-Heptanone; 3-Ethylpyridine; 2,3,5-Trimethylpyrazine; Furfural; Pyrrole; Furfuryl acetate; Linalool; Linalyl acetate; 5-Methylfurfural; γ-Butyrolactone; 2-Acetyl-1-methylpyrrole; Furfuryl alcohol; 2-Acetylpyrrole; Pyrrole-2-carboxaldehyde

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