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8.03528

Diacetyl

Name: Diacetyl
Brand: MM

for synthesis

Sinónimos:

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

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Fórmula empírica (notación de Hill):

C₄H₆O₂

Número CAS:

431-03-8

Peso molecular:

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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Propiedades

vapor pressure

52 hPa ( 20 °C)

Quality Segment

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

SMILES string

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

InChI

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

InChI key

QSJXEFYPDANLFS-UHFFFAOYSA-N

Descripción

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

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Este artículo	03858	818801	162574
Sigma-Aldrich 803528 Diacetyl	Sigma-Aldrich 03858 Dimethylglyoxime	Sigma-Aldrich 818801 2,3-Butanediol	Sigma-Aldrich 162574 Dimethylglyoxime
description for synthesis	description ≥97.0% (TLC)	description (mixture of meso- D- and L-form) for synthesis	description ACS reagent, ≥99%, powder
assay ≥97.0% (GC)	assay ≥97.0% (TLC)	assay -	assay ≥99%
Quality Level 200	Quality Level 100	Quality Level 200	Quality Level 200
bp 89-90 °C/1013 hPa	bp -	bp 180-182 °C/1013 hPa	bp -
form liquid	form powder	form liquid	form powder
mp -2 °C	mp 240-241 °C (lit.)	mp 18-20 °C	mp 240-241 °C (lit.)
density 0.99 g/cm³ at 20 °C	density -	density 1.00 g/cm³ at 20 °C	density -

signalword

Danger

target_organs

Respiratory system

Clase de almacenamiento

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

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