CAS: 17020-04-1; (3S,4Ar,6Bs,8Ar,11R,12S,12Ar,12Bs,14Ar,14Br)-4,4,6B,8A,11,12,12B,14B-Octamethyl-1,2,3,4,4A,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-Icosahydropicen-3-Yl Acetate

• 英文名称(3S,4Ar,6Bs,8Ar,11R,12S,12Ar,12Bs,14Ar,14Br)-4,4,6B,8A,11,12,12B,14B-Octamethyl-1,2,3,4,4A,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-Icosahydropicen-3-Yl Acetate
• 中文名称乙酸降香醇酯
• IUPAC名称(3S,4aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bR)-4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
• 其它别名Bauerel Acetate; Bauerenol Acetate; Ilexol Acetate; 26-Norurs-7-En-3-Ol, 13-Methyl-, 3-Acetate, (3β,13α,14β)-; (3S,4Ar,6As,6Bs,8Ar,11R,12S,12Ar,14Ar,14Br)-4,4,6A,6B,8A,11,12,14B-Octamethyl-2,3,4A,5,7,8,9,10,11,12,12A,13,14,14A-Tetradecahydro-1H-Picen-3-Yl]Acetate
• CAS编号17020-04-1
• MFCD编号:MFCD20260553
• 分子式:C32H52O2分子量:468.77
• 产品CID: 863142
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;
• InChIKey: DTHUXXMWYWKQKX-QXZXTIJDSA-N
• InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3/t20-,21+,
• 计算化学: 氢键受体数2.0氢键供体数*可旋转键数2.0

物理性质

• 熔点282-283 °C(溶剂: ethyl acetate (141-78-6))
• 沸点508.0±49.0 °C(预测)
• 闪点258 °C
• 密度1.02±0.1 g/cm3(预测)
• PSA:26.3
• LogP:8.5956
• 折射率1.527
• 蒸汽压1.93E-10 mmHg at 25 °C

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
  2909110000-乙醚
• 💡 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