CAS: 349534-70-9; Methyl (1As,4S,4As,5S,6R,8As)-5-(2-(Furan-3-yl)Ethyl)-4-Hydroxy-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)-5-(2-(Furan-3-yl)Ethyl)-4-Hydroxy-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)-5-(2-(呋喃-3-基)乙基)-4-羟基-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)-5-(2-(furan-3-yl)ethyl)-4-hydroxy-5,6-dimethyl-4,4a,5,6,7,8-hexahydrocyclopropa[d]naphthalene-1a(1H)-carboxylate
• 其它别名Methyl Dodonate A; Cyclopropa[d]Naphthalene-1A(1H)-Carboxylic Acid, 5-[2-(3-Furanyl)Ethyl]-4,4A,5,6,7,8-Hexahydro-4-Hydroxy-5,6-Dimethyl-, Methyl Ester, (1As,4S,4Ar,5S,6R,8As)-
• CAS编号349534-70-9
• MFCD编号:MFCD22417263
• 分子式:C21H28O4分子量:344.45
• 产品CID: 1354256
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: SMHNYOMQXSRPAD-OWHLRFHBSA-N
• InChI=1S/C21H28O4/c1-14-4-9-20-13-21(20,18(23)24-3)10-6-16(22)17(20)19(14,2)8-5-15-7-11-25-12-15/h6-7,10-12,14,16-17,22H,4-5,8-9,13H2,1-3H3/t14-,16+,17-,19+,20+,21+/m1/s1
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点441.0±45.0 °C(预测)
• 闪点220.5±28.7 °C
• 密度1.18±0.1 g/cm3(预测)
• pKa:14.10±0.70(预测)
• PSA:59.67
• LogP:3.7448

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
  2912110000-甲醛
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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