CAS: 349487-98-5; Methyl (1As,4S,4As,5S,6R,8As)-4-Acetoxy-5-(2-(Furan-3-yl)Ethyl)-5,6-Dimethyl-4,4A,5,6,7,8-Hexahydrocyclopropa[d]Naphthalene-1A(1H)-Carboxylate

• 英文名称Methyl (1As,4S,4As,5S,6R,8As)-4-Acetoxy-5-(2-(Furan-3-yl)Ethyl)-5,6-Dimethyl-4,4A,5,6,7,8-Hexahydrocyclopropa[d]Naphthalene-1A(1H)-Carboxylate
• 中文名称甲基(1AS,4S,4AS,5S,6R,8AS)-4-乙酰氧基-5-(2-(呋喃-3-基)乙基)-5,6-二甲基-4,4A,5,6,7,8-六氢环丙...[D]萘-1A(1H)-羧酸甲酯
• IUPAC名称methyl (1aS,4S,4aS,5S,6R,8aS)-4-acetoxy-5-(2-(furan-3-yl)ethyl)-5,6-dimethyl-4,4a,5,6,7,8-hexahydrocyclopropa[d]naphthalene-1a(1H)-carboxylate
• 其它别名Methyl Dodonate A Acetate; Cyclopropa[d]Naphthalene-1A(1H)-Carboxylic Acid, 4-(Acetyloxy)-5-[2-(3-Furanyl)Ethyl]-4,4A,5,6,7,8-Hexahydro-5,6-Dimethyl-, Methyl Ester, (1As,4S,4Ar,5S,6R,8As)-
• CAS编号349487-98-5
• 分子式:C23H30O5分子量:386.49
• 产品CID: 1354210
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: KVAOLDXEOWNRQY-WMJZEDCSSA-N
• InChI=1S/C23H30O5/c1-15-5-10-22-14-23(22,20(25)26-4)11-7-18(28-16(2)24)19(22)21(15,3)9-6-17-8-12-27-13-17/h7-8,11-13,15,18-19H,5-6,9-10,14H2,1-4H3/t15-,18+,19-,21+,22+,23
• 计算化学: 氢键受体数5.0氢键供体数*可旋转键数7.0

物理性质

• 沸点449.8±45.0 °C(预测)
• 闪点225.8±28.7 °C
• 密度1.17±0.1 g/cm3(预测)
• PSA:65.74
• LogP:4.3156

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation 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
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• 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