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Merck
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W255801

2,3-Hexanedione

greener alternative

natural, 96%, FG

Synonym(s):

Acetyl butyryl

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About This Item

Linear Formula:
CH3CH2CH2COCOCH3
CAS Number:
Molecular Weight:
114.14
FEMA Number:
2558
Council of Europe no.:
152
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.018
EC Number:
223-350-8
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
1699896
Organoleptic:
butter; caramel; creamy; sweet
Grade:
Halal, FG, Fragrance grade, Kosher, natural
Agency:
follows IFRA guidelines
Food allergen:
no known allergens
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Quality Level

grade

Halal, FG, Fragrance grade, 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

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

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”.

Application


  • Volatile organic compounds of the soil bacterium Bacillus halotolerans suppress pathogens and elicit defense-responsive genes in plants.: This study explores the role of volatile organic compounds, including 2,3-Hexanedione, produced by Bacillus halotolerans. It demonstrates how these compounds suppress pathogenic microbes and induce defense genes in plants, suggesting potential applications in biocontrol and agriculture (Rana et al., 2024).



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pictograms

FlameHealth hazard

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3 - STOT RE 2 Inhalation

target_organs

Respiratory system

Storage Class

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)
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



Global Trade Item Number

SKUGTIN
W255801-1KG-K04061838093349
W255801-SAMPLE-K04061834355397
W255801-100G-K04061834404408