3-hydroxy-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one

3-hydroxy-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one 基本信息
CAS号 125791-43-7 分子式 C13H22O3
分子量 226.31200 精确质量  226.15700
PSA  57.53000 LogP  1.82380

基本信息 展开↓

CAS号:
125791-43-7
3D弹球模型:
立即前往扯扯看
分子式:
C13H22O3
分子量:
226.31200
英文名称:
3-hydroxy-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one
英文别名:
3-hydroxy-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one;
1-Butanone,3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
精确分子量/精确质量:
226.15700
极性分子表面积/PSA:
57.53000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: DHFRAVBLSUHFMP-UHFFFAOYSA-N

物化性质展开↓

密度:
1.061g/cm3
沸点:
364ºC at 760 mmHg
闪点:
188.1ºC
折射率:
1.501
蒸汽压:
9.03E-07mmHg at 25°C

合成路线查看所有的合成路线

  • 32469-38-8

    1-(3-hydroxybut-1-ynyl)-2,2,6-trimethylcyclohexane-1,4-diol

  • ~11%

  • 23726-93-4

    大马士酮

  • +

  • 35734-61-3

    3-羟基-β-二氢大马酮

  • +

  • 41436-47-9

    3-hydroxy-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one

  • +

  • 125791-43-7

    3-hydroxy-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one

  • 32469-38-8

    1-(3-hydroxybut-1-ynyl)-2,2,6-trimethylcyclohexane-1,4-diol

  • 41436-47-9

    3-hydroxy-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-1-one

  • +

  • 125791-43-7

    3-hydroxy-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-1-one

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  • 32469-38-8

    1-(3-hydroxybut-1-ynyl)-2,2,6-trimethylcyclohexane-1,4-diol

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