CAS: 133369-42-3; 4-Hydroxy-11,12,13-Trinor-5-Eudesmen-7-One

• 英文名称4-Hydroxy-11,12,13-Trinor-5-Eudesmen-7-One
• 中文名称(4AS-顺式)-4,4A,5,6,7,8-六氢-8-羟基-4A,8-二甲基-2(3H)-萘酮
• IUPAC名称(4aS,8R)-8-hydroxy-4a,8-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
• 其它别名4-Hydroxy-11,12,13-Trinor-5-Eude; 4-Hydroxy-11,12,13-Trinor-5-Eudesmen-7-One; (4As-Cis)-4,4A,5,6,7,8-Hexahydro-8-Hydroxy-4A,8-Dimethyl-2(3H)-Naphthalenone; 2(3H)-Naphthalenone, 4,4A,5,6,7,8-Hexahydro-8-Hydroxy-4A,8-Dimethyl-, (4As-Cis)- (9Ci); Cis-8-Hydroxy-4A,8-Dimethyl-4,4A,5,6,7,8-Hexahydronaphthalen-2(3H)-One; 4β-Hydroxy-11,12,13-Trinor-5-Eudesmen-7-One; (4As,8R)-8-Hydroxy-4A,8-Dimethyl-4,5,6,7-Tetrahydro-3H-Naphthalen-2-One
• CAS编号133369-42-3
• MFCD编号:MFCD28100319
• 分子式:C12H18O2分子量:194.27
• 产品CID: 502228
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: NGTFVDVHOJMAJY-NWDGAFQWSA-N
• InChI=1S/C12H18O2/c1-11-5-3-6-12(2,14)10(11)8-9(13)4-7-11/h8,14H,3-7H2,1-2H3/t11-,12+/m0/s1
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

物理性质

• 沸点328.8±21.0 °C at 760 mmHg
• 闪点139.7±14.7 °C
• 密度1.1±0.1 g/cm3
• pKa:14.24±0.40(预测)
• PSA:37.3
• LogP:1.44
• 折射率1.529
• 蒸汽压0.0±1.6 mmHg at 25°C
• 外观形态粉末
• 储存条件室温

MSDS等安全信息

• 警示词Warning
• 危险描述H315-H319-H335-
• 防范说明P261-P305+P351+P338-
• 危险品标志Xi
• 安全声明H303+H313+H333

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海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
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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
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