CAS: 808769-54-2; 4,10-Dihydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Icosahydropicene-2-Carboxylic Acid

• 英文名称4,10-Dihydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Icosahydropicene-2-Carboxylic Acid
• 中文名称3,22-二羟基齐墩果-12-烯-29-酸
• IUPAC名称4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
• 其它别名3,22-Dihydroxyolean-12-En-29-Oic; Olean-12-En-29-Oic Acid, 3,22-Dihydroxy-, (3A,20A,22B)-; Olean-12-En-29-Oic Acid, 3,22-Dihydroxy-, (3α,20α,22β)-; 3α,22β-Dihydroxyolean-12-En-29-Oic Acid; 3,22 Dihydroxyoleanol-12 En-29-Acid
• CAS编号808769-54-2
• MFCD编号:MFCD20274848
• 分子式:C30H48O4分子量:472.71
• 产品CID: 1803804
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: JTBGJQZJEYVBJZ-UHFFFAOYSA-N
• InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)
• 计算化学: 氢键受体数4.0氢键供体数3.0可旋转键数1.0

物理性质

• 沸点584.1±50.0 °C at 760 mmHg
• 闪点321.1±26.6 °C
• 密度1.1±0.1 g/cm3
• pKa:4.71±0.70(预测)
• PSA:77.76
• LogP:7.32
• 折射率1.568
• 蒸汽压0.0±3.7 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

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
• 危险品标志Xi
• 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