CAS: 179388-53-5; 2,4,6-Trihydroxy-5-(1-((1S,4As,6R,8As)-6-(2-Hydroxypropan-2-yl)-8A-Methyl-4-Methylenedecahydronaphthalen-1-yl)-3-Methylbutyl)Isophthalaldehyde

• 英文名称2,4,6-Trihydroxy-5-(1-((1S,4As,6R,8As)-6-(2-Hydroxypropan-2-yl)-8A-Methyl-4-Methylenedecahydronaphthalen-1-yl)-3-Methylbutyl)Isophthalaldehyde
• 中文名称大果桉醛 H
• IUPAC名称2,4,6-trihydroxy-5-(1-((1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylenedecahydronaphthalen-1-yl)-3-methylbutyl)isophthalaldehyde
• 其它别名Macrocarpal H; 1,3-Benzenedicarboxaldehyde, 5-[(1S)-1-[(1S,4As,6R,8As)-Decahydro-6-(1-Hydroxy-1-Methylethyl)-8A-Methyl-4-Methylene-1-Naphthalenyl]-3-Methylbutyl]-2,4,6-Trihydroxy-; 5-[1-[(1S,4As,6R,8As)-6-(2-Hydroxypropan-2-yl)-8A-Methyl-4-Methylidene-1,2,3,4A,5,6,7,8-Octahydronaphthalen-1-Yl]-3-Methylbutyl]-2,4,6-Trihydroxybenzene-1,3-Dicarbaldehyde
• CAS编号179388-53-5
• MFCD编号:MFCD20261027
• FDA UNII编号:3V5VQV46B4
• 分子式:C28H40O6分子量:472.62
• 产品CID: 922826
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• 产品信息参考
• InChIKey: OOAOETHJYYAVCC-XWWMBYKISA-N
• InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-
• 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543.8±50.0 °C at 760 mmHg
• 闪点296.7±26.6 °C
• 密度1.2±0.1 g/cm3
• pKa:5.39±0.50(预测)
• PSA:115.06
• LogP:9.1
• 折射率1.583
• 蒸汽压0.0±1.5 mmHg at 25°C
• 溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
• 外观形态黄色粉末
• 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
• 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
  2902600000-乙苯
  2902700000-异丙基苯
• 💡 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