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Merck
CN

W254304

2,3-Heptanedione

≥97%, FG

Synonym(s):

Acetyl valeryl

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About This Item

Linear Formula:
CH3(CH2)3COCOCH3
CAS Number:
96-04-8
Molecular Weight:
128.17
FEMA Number:
2543
Council of Europe no.:
2044
UNSPSC Code:
12164502
PubChem Substance ID:
24901130
Flavis number:
7.064
EC Number:
202-472-5
NACRES:
NA.21
MDL number:
MFCD00036550
Organoleptic:
butter; cheese; oily
Grade:
FG
Fragrance grade
Halal
Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

2,3-Heptanedione, ≥97%, FG

SMILES string

CCCCC(=O)C(C)=O

InChI

1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3

InChI key

FJPGAMCQJNLTJC-UHFFFAOYSA-N

biological source

synthetic

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

assay

≥97%

refractive index

n20/D 1.415 (lit.)

bp

64 °C/18 mmHg (lit.)

density

0.92 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; cheese; oily

Quality Level

300
400

Gene Information

human ... ACHE(43), BCHE(590), CES1(1066)

Related Categories

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

105.8 °F - closed cup

flash_point_c

41 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBS9626
SHBS4335
SHBR7296
SHBQ5719
SHBP3092

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Edyta Budzyńska et al.
Talanta, 209, 120594-120594 (2020-01-02)
Electronic cigarettes (e-cigarettes) are continuously increasing in popularity due to being considered healthier compared with traditional cigarettes. Based on the European directive 2014/40/EU [1] the German legislation restricts the usage of potential harmful substances in these tobacco related products [2,3].
Jan Hintzpeter et al.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology, 29(1), 263-273 (2014-11-08)
The purpose of this study was to investigate the origin and function of the aldo-keto reductase (AKR) superfamily as enzymes involved in the detoxification of xenobiotics. We used the cyanobacterium Synechocystis sp. PCC 6803 as a model organism and sequence

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