CAS: 221899-21-4; 5-(1-(2-(2,2-Dimethyl-3-(3-Oxobutyl)Cyclopropyl)-1-Methyl-3-Oxocyclopentyl)-3-Methylbutyl)-2,4,6-Trihydroxyisophthalaldehyde

• 英文名称5-(1-(2-(2,2-Dimethyl-3-(3-Oxobutyl)Cyclopropyl)-1-Methyl-3-Oxocyclopentyl)-3-Methylbutyl)-2,4,6-Trihydroxyisophthalaldehyde
• 中文名称大果桉醛 N
• IUPAC名称5-(1-(2-(2,2-dimethyl-3-(3-oxobutyl)cyclopropyl)-1-methyl-3-oxocyclopentyl)-3-methylbutyl)-2,4,6-trihydroxyisophthalaldehyde
• 其它别名Macrocarpal N; 1,3-Benzenedicarboxaldehyde, 5-[(1S)-1-[(1R,2R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-Oxobutyl)Cyclopropyl]-1-Methyl-3-Oxocyclopentyl]-3-Methylbutyl]-2,4,6-Trihydroxy-; 5-[(1S)-1-[(1R,2R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-Oxobutyl)Cyclopropyl]-1-Methyl-3-Oxocyclopentyl]-3-Methylbutyl]-2,4,6-Trihydroxybenzene-1,3-Dicarbaldehyde
• CAS编号221899-21-4
• MFCD编号:MFCD20261011
• 分子式:C28H38O7分子量:486.61
• 产品CID: 1148830
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: KGPNGYABEKLGJP-UHFFFAOYSA-N
• InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3
• 计算化学: 氢键受体数7.0氢键供体数3.0可旋转键数10.0

物理性质

• 沸点559.7±50.0 °C(预测)
• 闪点306.3±26.6 °C
• 密度1.214±0.06 g/cm3(预测)
• pKa:5.34±0.50(预测)
• PSA:128.97
• LogP:5.1849

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
  2902700000-异丙基苯
  2907221000-对苯二酚
  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