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W255807

Sigma-Aldrich

2,3-Hexanedione

≥95%, FG

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Synonym(s):
Acetyl butyryl
Linear Formula:
CH3CH2CH2COCOCH3
CAS Number:
3848-24-6
Molecular Weight:
114.14
FEMA Number:
2558
Beilstein:
1699896
EC Number:
223-350-8
Council of Europe no.:
152
MDL number:
MFCD00009398
PubChem Substance ID:
24901146
Flavis number:
7.018
NACRES:
NA.21

biological source

synthetic

Quality Level

400

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 172.515

vapor density

3.9 (vs air)

vapor pressure

10 mmHg ( 20 °C)

Assay

≥95%

refractive index

n20/D 1.412 (lit.)

bp

128 °C (lit.)

density

0.934 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; caramel; creamy; oily; sweet

storage temp.

2-8°C

SMILES string

CCCC(=O)C(C)=O

InChI

1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3

InChI key

MWVFCEVNXHTDNF-UHFFFAOYSA-N

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General description

2,3-Hexanedione is a diketone commercially used in food and fragrance industries to get a buttery-cheesy taste in different foodstuffs and fragrances. It is naturally found in coffee, beer, and fermented soya beans.

Pictograms

FlameHealth hazard
GHS02,GHS08

Signal Word

Warning

Hazard Statements

H226 - H373

Hazard Classifications

Flam. Liq. 3 - STOT RE 2 Inhalation

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

82.4 °F - closed cup

Flash Point(C)

28 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Evaluation of the hypersensitivity potential of alternative butter flavorings
Anderson SE, et al.
Food And Chemical Toxicology, 62(1), 373-381 (2013)
Emerson S Lacey et al.
Journal of chemical ecology, 30(8), 1493-1507 (2004-11-13)
This is the first fully verified report of an aggregation pheromone produced by a cerambycid beetle species. Field bioassays with adult Neoclytus acuminatus acuminatus (F.) (Coleoptera: Cerambycidae) revealed that males produce a pheromone that attracts both sexes. Extracts of odors
Thomas R Zilz et al.
Toxicology, 231(2-3), 210-214 (2007-01-19)
The potential cytotoxicity of two hexanedione food additives (2,3 and 3,4 isomers) was evaluated in comparison with the neurotoxic hexane metabolite 2,5-hexanedione in the human SK-N-SH neuroblastoma line using the MTT assay to indicate mitochondrial dehydrogenase activity and flow cytometry
Molecular mechanism of hexane neuropathy: significant differences in pharmacokinetics between 2.3-, 2.4-, and 2.5-hexanedione.
K Iwasaki et al.
Industrial health, 22(3), 177-187 (1984-01-01)
Michael D Coleman et al.
Basic & clinical pharmacology & toxicology, 102(1), 25-29 (2007-11-02)
The effects of the alpha-diketone derivatives 2,3- and 3,4-hexanediones were investigated in three non-neuronal cell lines (MCF7, HepG(2) and CaCo-2) as well as in the neuroblastoma line, SH-SY5Y. The MTT reduction assay was employed to determine the necrotic effects of
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