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8.03528

Sigma-Aldrich

Diacetyl

for synthesis

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Synonym(s):
Diacetyl, 2,3-Butanedione, 2,3-Butadione, Dimethyldiketon, Dimethylglyoxal
Empirical Formula (Hill Notation):
C4H6O2
CAS Number:
431-03-8
Molecular Weight:
86.09
MDL number:
MFCD00008756
UNSPSC Code:
12352115
EC Index Number:
207-069-8
NACRES:
NA.22

vapor pressure

52 hPa ( 20 °C)

Quality Level

200

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

InChI

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

InChI key

QSJXEFYPDANLFS-UHFFFAOYSA-N

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

Signal Word

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

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

危险化学品

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