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:
分子量:
86.09
UNSPSC Code:
12352115
EC Index Number:
207-069-8
NACRES:
NA.22
MDL number:
Assay:
≥97.0% (GC)
Form:
liquid
vapor pressure
52 hPa ( 20 °C)
Quality Segment
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
SMILES string
O=C(C)C(=O)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
Density (d 20 °C/ 4 °C): 0.984 - 0.987
Identity (IR): passes test
signalword
Danger
target_organs
Respiratory system
存储类别
3 - Flammable liquids
flash_point_f
44.6 °F - closed cup
flash_point_c
7 °C - closed cup
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2 - Skin Irrit. 2 - STOT RE 1 Inhalation