CAS: 130838-00-5; (E)-4-(5-Hydroxy-3-Methylpent-3-En-1-yl)-8-(Hydroxymethyl)-4A,8-Dimethyl-3-Methylenedecahydronaphthalen-1-Yl Benzoate

• 英文名称(E)-4-(5-Hydroxy-3-Methylpent-3-En-1-yl)-8-(Hydroxymethyl)-4A,8-Dimethyl-3-Methylenedecahydronaphthalen-1-Yl Benzoate
• 中文名称野甘草属醇
• IUPAC名称(E)-4-(5-hydroxy-3-methylpent-3-en-1-yl)-8-(hydroxymethyl)-4a,8-dimethyl-3-methylenedecahydronaphthalen-1-yl benzoate
• 其它别名Scoparil; Scoparinol; 1-Naphthalenemethanol,8-(Benzoyloxy)- Decahydro-5-[(3E)-5-Hydroxy-3-Methyl-3- Pentenyl]-1,4A-Dimethyl-6-Methylene-,(1R,- 4Ar,5S,8R,8Ar)-; 1-Naphthalenemethanol, 8-(Benzoyloxy)Decahydro-5-[(3E)-5-Hydroxy-3-Methyl-3-Penten-1-Yl]-1,4A-Dimethyl-6-Methylene-, (1R,4Ar,5S,8R,8Ar)-
• CAS编号130838-00-5
• MFCD编号:MFCD20274668
• 分子式:C27H38O4分子量:426.6
• 产品CID: 467678
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: WGSYIFPPMZUQAN-CPNJWEJPSA-N
• InChI=1S/C27H38O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,22-24,28-29H,2,8,11-12,14-18H2,1,3-4H3/b19-13
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数8.0

物理性质

• 沸点544.3±30.0 °C(预测)
• 闪点173.8±18.1 °C
• 密度1.11±0.1 g/cm3(预测)
• pKa:14.44±0.10(预测)
• PSA:66.76
• LogP:5.3119

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905399002-1,4-丁二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管