CAS: 138870-96-9; 5-Hydroxy-7-(4-Hydroxy-3,5-Dimethoxyphenyl)-1-(4-Hydroxy-3-Methoxyphenyl)Heptan-3-One

• 英文名称5-Hydroxy-7-(4-Hydroxy-3,5-Dimethoxyphenyl)-1-(4-Hydroxy-3-Methoxyphenyl)Heptan-3-One
• 中文名称5-羟基-7-(4-羟基-3,5-二甲氧基苯基)-1-(4-羟基-3-甲氧基苯基)-3-庚酮
• IUPAC名称5-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-one
• 其它别名5"-Methoxyhexahydrocurcumin; 5"-Methoxyhexahydrocurcumin; 5-Hydroxy-7-(4-Hydroxy-3,5-Dimethoxyphenyl)-1-(4-Hydroxy-3-Methoxyphenyl)-3-Heptanone; 3-Heptanone, 5-Hydroxy-7-(4-Hydroxy-3,5-Dimethoxyphenyl)-1-(4-Hydroxy-3-Methoxyphenyl)-; 5'-Methoxyhexahydrocurcumin; 5''-Methoxyhexahydrocurcumin
• CAS编号138870-96-9
• MFCD编号:MFCD23103644
• 分子式:C22H28O7分子量:404.46
• 产品CID: 601318
• 产品分类天然产物 → 酚类天然产物

• 相似结构搜索
• InChIKey: CAQJIHGGUCTKHW-UHFFFAOYSA-N
• InChI=1S/C22H28O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h6,9-12,17,24-26H,4-5,7-8,13H2,1-3H3
• 计算化学: 氢键受体数7.0氢键供体数3.0可旋转键数11.0

物理性质

• 沸点643.4±55.0 °C(预测)
• 闪点222.2±25.0 °C
• 密度1.228±0.06 g/cm3(预测)
• pKa:10.02±0.20(预测)
• PSA:105.45
• LogP:3.0091

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

• 2902600000-乙苯
  2905122000-异丙醇
  2907210001-间苯二酚
  2907221000-对苯二酚
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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