CAS: 142647-71-0; 2,4,6-Trihydroxy-5-(1-(7-(2-Hydroxypropan-2-yl)-1,4-Dimethyl-1,2,3,3A,4,5,6,7-Octahydroazulen-1-yl)-3-Methylbutyl)Isophthalaldehyde

• 英文名称2,4,6-Trihydroxy-5-(1-(7-(2-Hydroxypropan-2-yl)-1,4-Dimethyl-1,2,3,3A,4,5,6,7-Octahydroazulen-1-yl)-3-Methylbutyl)Isophthalaldehyde
• 中文名称大果桉醛D
• IUPAC名称2,4,6-trihydroxy-5-(1-(7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-1-yl)-3-methylbutyl)isophthalaldehyde
• 其它别名Macrocarpal D; 1,3-Benzenedicarboxaldehyde, 2,4,6-Trihydroxy-5-[(1R)-3-Methyl-1-[(1R,3Ar,4R,7R)-1,2,3,3A,4,5,6,7-Octahydro-7-(1-Hydroxy-1-Methylethyl)-1,4-Dimethyl-1-Azulenyl]Butyl]-; 2,4,6-Trihydroxy-5-[1-[7-(2-Hydroxypropan-2-yl)-1,4-Dimethyl-3,3A,4,5,6,7-Hexahydro-2H-Azulen-1-Yl]-3-Methylbutyl]Benzene-1,3-Dicarbaldehyde; 5-[(1R)-1-[(1R,3Ar,4R,7R)-7-(2-Hydroxypropan-2-yl)-1,4-Dimethyl-3,3A,4,5,6,7-Hexahydro-2H-Azulen-1-Yl]-3-Methylbutyl]-2,4,6-Trihydroxybenzene-1,3-Dicarbaldehyde
• CAS编号142647-71-0
• MFCD编号:MFCD20261003
• 分子式:C28H40O6分子量:472.62
• 产品CID: 651572
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: VUKIJLQDSQXHDI-UHFFFAOYNA-N
• InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3
• 计算化学: 氢键受体数6.0氢键供体数4.0可旋转键数7.0

物理性质

• 沸点553.3±50.0 °C(预测)
• 闪点302.5 °C
• 密度1.21±0.1 g/cm3(预测)
• pKa:5.39±0.50(预测)
• PSA:115.06
• LogP:5.7178
• 折射率1.587
• 蒸汽压4.47E-13 mmHg at 25 °C
• 溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
• 外观形态黄色粉末
• 产品应用该化合物是一种强效抗菌剂.

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
  2902600000-乙苯
  2902700000-异丙基苯
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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