CAS: 1423809-64-6; (1S,4R,4As,8Ar)-1-Hydroxy-4,7-Dimethyl-1-(Prop-1-En-2-yl)-1,3,4,4A,5,8A-Hexahydronaphthalene-2,6-Dione

• 英文名称(1S,4R,4As,8Ar)-1-Hydroxy-4,7-Dimethyl-1-(Prop-1-En-2-yl)-1,3,4,4A,5,8A-Hexahydronaphthalene-2,6-Dione
• 中文名称3,8-二氧代-7α-羟基-4,11(12)-四去氢杜松烷
• IUPAC名称(1S,4R,4aS,8aR)-1-hydroxy-4,7-dimethyl-1-(prop-1-en-2-yl)-1,3,4,4a,5,8a-hexahydronaphthalene-2,6-dione
• 其它别名7Alpha-Hydroxy-4,11-Cadinadiene-3,8-Dione; 7α-Hydroxy-4,11-Cadinadiene-3,8-Dione; 3,8-Dioxo-7Alpha-Hydroxy-4,11(12)-Tetradehydrocadinanene; 2,6-Naphthalenedione, 1,3,4,4A,5,8A-Hexahydro-1-Hydroxy-4,7-Dimethyl-1-(1-Methylethenyl)-, (1R,4S,4Ar,8As)-Rel-(+)-; (4As,5R,8S,8Ar)-5-Hydroxy-3,8-Dimethyl-5-Prop-1-En-2-Yl-4A,7,8,8A-Tetrahydro-1H-Naphthalene-2,6-Dione
• CAS编号1423809-64-6
• MFCD编号:MFCD32861109
• 分子式:C15H20O3分子量:248.32
• 产品CID: 650030

• 相似结构搜索
• InChIKey: GMEQWOXALWTOIS-CKRXIKOQSA-N
• InChI=1S/C15H20O3/c1-8(2)15(18)12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,9,11-12,18H,1,6-7H2,2-4H3/t9-,11+,12+,15-/m1/s1
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

物理性质

• 沸点409.7±45.0 °C(预测)
• 密度1?+-.0.06 g/cm3(预测)
• pKa:11.63±0.60(预测)
• PSA:54.37
• LogP:1.9

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
  2905143000-叔丁醇
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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