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Merck
CN

8.03528

Diacetyl

for synthesis

别名:

Diacetyl, 2,3-Butanedione, 2,3-Butadione, Dimethyldiketon, Dimethylglyoxal

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关于此项目

经验公式（希尔记法）:
C4H6O2
化学文摘社编号:
431-03-8
分子量:
86.09
UNSPSC Code:
12352115
EC Index Number:
207-069-8
NACRES:
NA.22
MDL number:
MFCD00008756
Assay:
≥97.0% (GC)
Form:
liquid

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SMILES string

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

InChI

1S/C4H6O2/c1-3(5)4(2)6/h1-2H3

InChI key

QSJXEFYPDANLFS-UHFFFAOYSA-N

vapor pressure

52 hPa ( 20 °C)

assay

≥97.0% (GC)

form

liquid

autoignition temp.

365 °C

potency

1580 mg/kg LD50, oral (Rat), >5000 mg/kg LD50, skin (Rabbit)

expl. lim.

2.4-13.0 % (v/v)

bp

89-90 °C/1013 hPa

mp

-2 °C

transition temp

flash point 7 °C

density

0.99 g/cm3 at 20 °C

storage temp.

2-8°C

Quality Level

200

Application

  • Photosensitizer in Synthesis: Discusses diacetyl′s role as a non-toxic, readily available "traceless" photosensitizer in metal-free cross-dehydrogenative coupling reactions, highlighting its versatility and economic benefits (Huang et al., 2019).
  • Detection in E-cigarettes: Investigates diacetyl as a precursor to hazardous emissions in e-cigarette liquids, providing insights into the health risks associated with its use in vaping products (Vas, Porter & McAdam, 2019).
  • Antimicrobial Activity: Explores the synergistic antimicrobial properties of diacetyl combined with reuterin against foodborne pathogens, emphasizing its potential for enhancing food safety (Langa et al., 2014).
  • Coffee Industry Exposure: Details exposure levels to diacetyl and other volatile organic compounds in coffee roasting and café settings, discussing occupational safety measures and health implications (LeBouf et al., 2020).

Analysis Note

Assay (GC, area%): ≥ 97.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.984 - 0.987
Identity (IR): passes test

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 2 Inhalation

target_organs

Respiratory system

存储类别

3 - Flammable liquids

wgk

WGK 2

flash_point_f

44.6 °F - closed cup

flash_point_c

7 °C - closed cup

法规信息

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