8.05791

Mesityl oxide

for synthesis

• 別名: Mesityl oxide, Isopropylideneacetone, 4-Methyl-3-penten-2-one
• 化学式: (CH₃)₂CCHCOCH₃
• CAS番号: 141-79-7
• 分子量: 98.14
• MDL番号: MFCD00008900
• UNSPSCコード: 12352115
• EC Index Number: 205-502-5
• NACRES: NA.22
• フォーム: liquid

特性

• 蒸気圧: 10.5 hPa ( 20 °C)
• 品質水準: 200
• フォーム: liquid
• 自己発火温度: 344 °C
• 有効性: 1120 mg/kg LD₅₀, oral (Rat); 5150 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.4-10.1 % (v/v)
• bp: 130 °C/1013 hPa
• mp: -59 °C
• 転移温度: flash point 28 °C
• 密度: 0.85 g/cm³ at 20 °C
• 保管温度: 2-30°C
• SMILES記法: O=C(C)C=C(C)C
• InChI: 1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
• InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N

詳細

アプリケーション

• Nanomaterial synthesis: Mesityl oxide is employed in the chemical reactivity studies of the tryptophan/acetone/DMSO triad system, highlighting its potential applications in the innovative synthesis of nanomaterials, advancing green chemistry initiatives (Huang et al., 2023).
• Electrode modification for residue detection: Utilized in the detection of residual 2-Phenylphenol on lemon rind, mesityl oxide served as a solvent in the electrochemical deposition of polymeric stackings, illustrating its utility in enhancing analytical methods in food safety (Kiss et al., 2022).
• Organic sensing media: Mesityl oxide was a key solvent in the anodic polymerization process for sensing phenols, indicating its effective use in the development of sensing layers for environmental monitoring (Kiss et al., 2022).
• Pharmaceutical product quality control: Mesityl oxide is instrumental in the determination of acetone and related impurities in drug product intermediates, showing its critical role in ensuring pharmaceutical quality and compliance (Quirk et al., 2014).

アナリシスノート

Assay isomers (GC, area%): ≥ 97.0 % (a/a)
a-Mesityl oxide (GC, area%): ≥ 85.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.853 - 0.856
Identity (IR): passes test

安全性情報

• ピクトグラム: GHS02,GHS06
• シグナルワード: Danger
• 危険有害性情報: H226 - H302 + H312 - H315 - H319 - H331 - H335
• 注意書き: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 3 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 3 - Flammable liquids
• WGK: WGK 1
• 引火点(°F): 87.8 °F - closed cup
• 引火点(℃): 31 °C - closed cup