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Safety Information

W255807

Sigma-Aldrich

2,3-Hexanedione

≥95%, FG

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Synonym(s):
Acetyl butyryl
Linear Formula:
CH3CH2CH2COCOCH3
CAS Number:
Molecular Weight:
114.14
FEMA Number:
2558
Beilstein:
1699896
EC Number:
Council of Europe no.:
152
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.018
NACRES:
NA.21

biological source

synthetic

Quality Level

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.

Application


  • Volatile organic compounds of the soil bacterium Bacillus halotolerans suppress pathogens and elicit defense-responsive genes in plants.: This research unveils how volatile organic compounds from Bacillus halotolerans, including 2,3-Hexanedione, can suppress plant pathogens and trigger defense genes. This finding could lead to natural plant protection strategies and enhance agricultural productivity (Rana et al., 2024).

Pictograms

FlameHealth hazard

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3 - STOT RE 2 Inhalation

Target Organs

Respiratory system

WGK

WGK 2

Flash Point(F)

82.4 °F

Flash Point(C)

28 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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
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
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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