CAS: 263368-91-8; (3R,4R)-4-Acetyl-3,6,8-Trihydroxy-3-Methyl-3,4-Dihydronaphthalen-1(2H)-One

• 英文名称(3R,4R)-4-Acetyl-3,6,8-Trihydroxy-3-Methyl-3,4-Dihydronaphthalen-1(2H)-One
• 中文名称(3R,4R)-REL-4-乙酰基-3,4-二氢-3,6,8-三羟基-3-甲基-1(2H)-萘酮
• IUPAC名称(3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-3,4-dihydronaphthalen-1(2H)-one
• 其它别名4-(Trans)-Acetyl-3,6,8-Trihydrox; 4-(Trans)-Acetyl-3,6,8-Trihydroxy-3- Methyldihydronaphthalenone; (3R,4R)-Rel-4-Acetyl-3,4-Dihydro-3,6,8-Trihydroxy-3-Methyl-1(2H)-Naphthalenone; (3R,4R)-4-Acetyl-3,6,8-Trihydroxy-3-Methyl-2,4-Dihydronaphthalen-1-One; 1(2H)-Naphthalenone, 4-Acetyl-3,4-Dihydro-3,6,8-Trihydroxy-3-Methyl-, (3R,4R)-Rel-
• CAS编号263368-91-8
• MFCD编号:MFCD22417332
• 分子式:C13H14O5分子量:250.25
• 产品CID: 1236388
• 产品分类天然产物 → 酚类天然产物

• 相似结构搜索
• InChIKey: QDNOAZOXGLUUEB-CHWSQXEVSA-N
• InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13-/m1/s1
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数1.0

物理性质

• 沸点496.1±45.0 °C at 760 mmHg
• 闪点268.0±25.2 °C
• 密度1.4±0.1 g/cm3
• pKa:7.74±0.60(预测)
• PSA:94.83
• LogP:1.28
• 折射率1.625
• 蒸汽压0.0±1.3 mmHg at 25°C
• 外观形态粉末
• 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

• 2902600000-乙苯
  2902700000-异丙基苯
  2905122000-异丙醇
  2905143000-叔丁醇
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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