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Safety Information

W284106

Sigma-Aldrich

2,3-Pentanedione

≥96%, FCC, FG

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Synonym(s):
Acetylpropionyl
Linear Formula:
CH3CH2COCOCH3
CAS Number:
Molecular Weight:
100.12
FEMA Number:
2841
Beilstein:
1699638
EC Number:
Council of Europe no.:
2039
MDL number:
PubChem Substance ID:
Flavis number:
7.060
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

Assay

≥96%

refractive index

n20/D 1.404 (lit.)

bp

110-112 °C (lit.)

mp

−52 °C (lit.)

density

0.957 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

caramel; cheese; creamy; buttery; sweet

storage temp.

2-8°C

SMILES string

CCC(=O)C(C)=O

InChI

1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3

InChI key

TZMFJUDUGYTVRY-UHFFFAOYSA-N

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Related Categories

Biochem/physiol Actions

Odor at 1.0%
Taste at 1-5.0 ppm

Other Notes

Natural occurrence: Butter, cocoa, coffee, potato chips, roasted almonds, pecans, wheat bread, and yogurt.

Legal Information

Additional information may be required prior to purchase of this material

Signal Word

Danger

Hazard Statements

Hazard Classifications

Flam. Liq. 2 - Skin Sens. 1B - STOT RE 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

66.2 °F - closed cup

Flash Point(C)

19 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Magnus Rueping et al.
Organic letters, 9(5), 825-828 (2007-02-01)
[reaction: see text] A highly effective metal-catalyzed benzylation and allylic alkylation of 2,4-pentanediones has been developed. This new bismuth-catalyzed direct carbon-carbon bond forming reaction provides the corresponding monoalkylated dicarbonyl compounds in high yields after short reaction times using the lowest
Paul Schweiger et al.
Applied microbiology and biotechnology, 87(4), 1415-1426 (2010-04-24)
Two cytosolic NADPH-dependent carbonyl reductases from Gluconobacter oxydans 621H, Gox0644 and Gox1615, were heterologously produced in Escherichia coli. The recombinant proteins were purified to homogeneity and characterized. Gox0644 and Gox1615 were dimers with native molecular masses of 66.1 and 74.5
A Ott et al.
Journal of agricultural and food chemistry, 48(3), 724-731 (2000-03-22)
Addition of branched-chain amino acids (BCAA) or an inhibitor of the BCAA biochemical pathways during fermentation of milk with a lac(-) mutant of Lactobacillus delbrueckii subsp. bulgaricus and Streptococcus thermophilus strongly influenced the formation of two aroma-impact compounds, 2,3-butanedione and
C Gjermansen et al.
Journal of basic microbiology, 28(3), 175-183 (1988-01-01)
During alcoholic fermentations, the off-flavour compound diacetyl is formed non-enzymatically from acetolactate leaking out from the cells. Acetolactate is an intermediate in the biosynthesis of valine. In beer fermentation, the amount of diacetyl is reduced to acceptable levels during maturation.
Alexander M van der Linden et al.
Genetics, 180(3), 1475-1491 (2008-10-04)
The regulation of chemoreceptor (CR) gene expression by environmental signals and internal cues may contribute to the modulation of multiple physiological processes and behavior in Caenorhabditis elegans. We previously showed that KIN-29, a homolog of salt-inducible kinase, acts in sensory

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