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Merck

8.18732

2,3-Hexanedione

for synthesis

Synonym(s):

2,3-Hexanedione, propyl diketone, methylpropylglyoxal

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About This Item

Empirical Formula (Hill Notation):
C6H10O2
CAS Number:
Molecular Weight:
114.14
UNSPSC Code:
12352115
EC Index Number:
223-350-8
NACRES:
NA.22
MDL number:
Assay:
≥95.0% (GC)
Form:
liquid
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vapor pressure

13 hPa ( 20 °C)

Quality Level

assay

≥95.0% (GC)

form

liquid

autoignition temp.

245 °C

potency

>5000 mg/kg LD50, oral (Rat), >5000 mg/kg LD50, skin (Rabbit)

expl. lim.

1.2-5.9 % (v/v)

bp

130 °C/1013 hPa

mp

-30 °C

transition temp

flash point 28 °C

density

0.94 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

O=C(CCC)C(=O)C

InChI

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

InChI key

MWVFCEVNXHTDNF-UHFFFAOYSA-N

Application


  • Synthesis of alpha-hydroxy ketones and vicinal (R, R)-diols by Bacillus clausii DSM 8716 T butanediol dehydrogenase: This study explores the enzymatic reduction of 2,3-hexanedione to produce hydroxy ketones, providing insights into biocatalytic applications (Muschallik et al., 2020).

Analysis Note

Assay (GC, area%): ≥ 95.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.934 - 0.940
Identity (IR): passes test


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pictograms

FlameHealth hazard

signalword

Warning

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



Certificates of Analysis (COA)

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