CAS: 1388075-44-2; 5-(3,8-Dihydroxy-1,5-Dimethyl-7-Oxo-6-Oxabicyclo[3.2.1]Octan-8-yl)-3-(Hydroxymethyl)Penta-2,4-Dienoic Acid

• 英文名称5-(3,8-Dihydroxy-1,5-Dimethyl-7-Oxo-6-Oxabicyclo[3.2.1]Octan-8-yl)-3-(Hydroxymethyl)Penta-2,4-Dienoic Acid
• 中文名称(2E,4E)-5-[(1S,3S,5R,8S)-3,8-二羟基-1,5-二甲基-7-氧代-6-氧杂双环[3.2.1]辛-8-基]-3-(羟基甲基)-2,4-戊二烯酸
• IUPAC名称5-(3,8-dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl)-3-(hydroxymethyl)penta-2,4-dienoic acid
• 其它别名8'-Oxo-6-Hydroxydihydrophaseic Acid; (2E,4E)-5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-Dimethyl-7-Oxo-6-Oxabicyclo[3.2.1]Oct-8-Yl]-3-(Hydroxymethyl)-2,4-Pentadienoic Acid; -Oxo-6-Hydroxydihydrophaseic Acid; 2,4-Pentadienoic Acid, 5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-Dimethyl-7-Oxo-6-Oxabicyclo[3.2.1]Oct-8-Yl]-3-(Hydroxymethyl)-, (2E,4E)-
• CAS编号1388075-44-2
• MFCD编号:MFCD28100339
• 分子式:C15H20O7分子量:312.32
• 产品CID: 600722

• 相似结构搜索
• InChIKey: LYUJWBPVDZIFEZ-UHFFFAOYSA-N
• InChI=1S/C15H20O7/c1-13-6-10(17)7-14(2,22-12(13)20)15(13,21)4-3-9(8-16)5-11(18)19/h3-5,10,16-17,21H,6-8H2,1-2H3,(H,18,19)
• 计算化学: 氢键受体数7.0氢键供体数4.0可旋转键数4.0

物理性质

• 沸点622.5±55.0 °C(预测)
• 闪点233.4±25.0 °C
• 密度1.535±0.06 g/cm3(预测)
• pKa:4.36±0.33(预测)
• PSA:124.29
• LogP:-0.2465

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
  2901241000-1,3-丁二烯
  2905122000-异丙醇
• 💡 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