8.04807

Isophorone

for synthesis

• 別名: Isophorone, 3,5,5-Trimethyl-2-cyclohexen-1-one
• 実験式（ヒル表記法）: C₉H₁₄O
• CAS番号: 78-59-1
• 分子量: 138.21
• MDL番号: MFCD00001584
• UNSPSCコード: 12352115
• EC Index Number: 201-126-0

特性

• 蒸気圧: 0.33 hPa ( 20 °C)
• 品質水準: 200
• アッセイ: ≥98.0% (GC)
• 形状: liquid
• 自己発火温度: 460 °C
• 有効性: 1500 mg/kg LD₅₀, oral (Rat); 1500 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 0.8-3.8 % (v/v)
• bp: 210-216 °C/1013 hPa
• mp: -8 °C
• 転移温度: flash point 85 °C
• 溶解性: 14.5 g/L
• 密度: 0.92 g/cm³ at 20 °C
• 保管温度: 2-30°C
• InChI: 1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
• InChI Key: HJOVHMDZYOCNQW-UHFFFAOYSA-N

詳細

アプリケーション

• Study on the selective hydrogenation of isophorone: This research explores the hydrogenation process of isophorone, achieving low conversion with high TMCH (3,3,5-Trimethylcyclohexanone) selectivity. The focus is on optimizing conversion rates (L Xu, S Sun, X Zhang, H Gao, W Wang - RSC advances, 2021).
• Synthesis of aviation fuel from bio-derived isophorone: Investigates the use of isophorone as a precursor for synthesizing energy-dense polycyclic cyclobutane, applicable in aviation fuel production (CF Ryan, CM Moore, JH Leal - Sustainable Energy & Fuels, 2020).

アナリシスノート

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.920 - 0.922
Identity (IR): passes test
Color (visual): colorless to yellowish

安全性情報

• ピクトグラム: GHS07,GHS08
• シグナルワード: Warning
• 危険有害性情報: H302 + H312 - H319 - H335 - H351
• 注意書き: P202 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313
• 危険有害性の分類: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 10 - Combustible liquids
• WGK: WGK 1
• 引火点(°F): 204.8 °F - closed cup
• 引火点(℃): 96.0 °C - closed cup