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W255801

Sigma-Aldrich

2,3-Hexanedione

greener alternative

natural, 96%, 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:
329830440
Flavis number:
7.018
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Agency

follows IFRA guidelines

reg. compliance

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

vapor density

3.9 (vs air)

vapor pressure

10 mmHg ( 20 °C)

Assay

96%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

refractive index

n20/D 1.412 (lit.)

bp

128 °C (lit.)

solubility

H2O: soluble (slightly soluble)
alcohol: soluble (soluble)
oil: soluble (soluble)
propylene glycol: soluble (soluble)

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

greener alternative category

Aligned

Organoleptic

butter; caramel; creamy; 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 α-diketone flavoring agent reported in African star fruit, frozen and dried scallops.
We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

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

Regulatory Information

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Chemical Reactivity and Respiratory Toxicity of the ?-Diketone Flavoring Agents: 2, 3-Butanedione, 2, 3-Pentanedione, and 2, 3-Hexanedione.
Morgan DL, et al.
Toxicologic Pathology, 44(5), 763-783 (2016)
Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry
Chung HY, et al.
Food Research International, 35(1), 43-53 (2002)
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)
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
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