4-(2,6,6-三甲基-1-环己烯基)丁-3-烯-2-酮
[CAS# 35031-06-2]

基本信息

• 产品名称: 4-(2,6,6-三甲基-1-环己烯基)丁-3-烯-2-酮
• 英文名: 4-(2,6,6-Trimethyl-1-Cyclohexenyl)But-3-En-2-One
• 别名: (E)-4-(2,6,6-Trimethyl-1-Cyclohexenyl)But-3-En-2-One; W259519_Aldrich; Ls-871
• 分子式: C₁₃H₂₀O
• 分子量: 192.30
• CAS 登录号: 35031-06-2
• EINECS 登录号: 252-325-4
• 分子行输入简码 SMILES: CC(/C=C/C1=C(C)CCCC1(C)C)=O
• 国际化学标识码 InChI: 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
• 国际化学标识检索码 InChIKey: PSQYTAPXSHCGMF-BQYQJAHWSA-N

物理化学性质

• 密度: 20 （实验值）
• 熔点: -49°C （实验值）
• 沸点: 254.816°C at 760 mmHg （计算值）
• 闪点: 112°C （实验值）
• 折射率: 1.52 （实验值）

安全数据

• 安全说明: WARNING: Irritates lungs, eyes, skin

参考文献

• (1): Roman Kaiser. Meaningful Scents Around the World: Olfactory, Chemical, Biological, and Cultural ConsiderationsThis book takes the reader on a fascinating fragrant journey around the world to some of the exciting places the author has visited during his 30 years of olfactory research. Following an introductory section to the world of natural scents, including their biological meaning and history, the fragrance and flavor chemist, Roman Kaiser, who is renowned for his 'headspace' analytical technique, revisits some memorable scents.
• (2): Massimo E. Maffei, Jürg Gertsch and Giovanni Appendino. Plant volatiles: Production, function and pharmacology, Nat. Prod. Rep., 2011, 28, 1359.