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Merck

8.03528

Diacetyl

for synthesis

동의어(들):

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

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제품정보 (DICE 배송 시 비용 별도)

실험식(Hill 표기법):
C4H6O2
CAS 번호:
Molecular Weight:
86.09
UNSPSC Code:
12352115
EC Index Number:
207-069-8
NACRES:
NA.22
MDL number:
Assay:
≥97.0% (GC)
Form:
liquid
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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


signalword

Danger

target_organs

Respiratory system

저장 등급

3 - Flammable liquids

flash_point_f

44.6 °F - closed cup

flash_point_c

7 °C - closed cup

Hazard Classifications

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



시험 성적서(COA)

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