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Merck
CN

W255801

2,3-己二酮

greener alternative

natural, 96%, FG

别名:

乙酰丁酰

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线性分子式:
CH3CH2CH2COCOCH3
化学文摘社编号:
3848-24-6
分子量:
114.14
FEMA Number:
2558
Council of Europe no.:
152
UNSPSC Code:
12164502
PubChem Substance ID:
329830440
Flavis number:
7.018
EC Number:
223-350-8
NACRES:
NA.21
MDL number:
MFCD00009398
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

主要文件

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产品名称

2,3-己二酮, natural, 96%, FG

grade

Halal
FG
Fragrance grade
Kosher
natural

SMILES string

CCCC(=O)C(C)=O

InChI key

MWVFCEVNXHTDNF-UHFFFAOYSA-N

InChI

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

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

Quality Level

300

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相关类别

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).

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

signalword

Warning

hcodes

H226,H373

Hazard Classifications

Flam. Liq. 3 - STOT RE 2 Inhalation

target_organs

Respiratory system

存储类别

3 - Flammable liquids

wgk

WGK 2

flash_point_f

82.4 °F - closed cup

flash_point_c

28 °C - closed cup

法规信息

新产品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBS9624
SHBR3908
SHBR2860
SHBQ6626
SHBQ5726

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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)
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)
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
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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