8.03528

Diacetyl

for synthesis

• 同義詞: Diacetyl, 2,3-Butanedione, 2,3-Butadione, Dimethyldiketon, Dimethylglyoxal
• 經驗公式（希爾表示法）: C₄H₆O₂
• CAS號碼: 431-03-8
• 分子量：: 86.09
• MDL號碼: MFCD00008756
• 分類程式碼代碼: 12352115
• 酶委員會索引編號: 207-069-8
• NACRES: NA.22

屬性

• 蒸汽壓力: 52 hPa ( 20 °C)
• 品質等級: 200
• 化驗: ≥97.0% (GC)
• 形狀: liquid
• 自燃溫度: 365 °C
• 效力: 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
• 轉變溫度: flash point 7 °C
• 密度: 0.99 g/cm³ at 20 °C
• 儲存溫度: 2-8°C
• SMILES 字串: O=C(C)C(=O)C
• InChI: 1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
• InChI 密鑰: QSJXEFYPDANLFS-UHFFFAOYSA-N

描述

應用

• 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).

分析報告

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

安全資訊

• 象形圖: GHS02,GHS06,GHS08,GHS05
• 訊號詞: Danger
• 危險聲明: H225,H302,H315,H317,H318,H331,H373
• 防範說明: P210 - P280 - P301 + P312 - P304 + P340 + P311 - P305 + P351 + P338 - P314
• 危險分類: Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 2 Inhalation
• 標靶器官: Respiratory system
• 儲存類別代碼: 3 - Flammable liquids
• 水污染物質分類（WGK）: WGK 2
• 閃點（°F）: 44.6 °F - closed cup
• 閃點（°C）: 7 °C - closed cup