阿瓦醇

阿瓦醇 基本信息
CAS号 55303-98-5 分子式 C21H30O2
分子量 314.46200 精确质量  314.22500
PSA  40.46000 LogP  5.43910

基本信息 展开↓

CAS号:
55303-98-5
3D弹球模型:
立即前往扯扯看
分子式:
C21H30O2
分子量:
314.46200
中文名称:
阿瓦醇
英文名称:
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
中文别名:
阿瓦醇
英文别名:
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol;
Avarol;
2-{[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diol;
(1R-(1alpha,2beta,4abeta,8abeta))-2-((1,2,3,4,4a,7,8,8a-Octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-1,4-benzenediol;
Avrol
精确分子量/精确质量:
314.22500
极性分子表面积/PSA:
40.46000
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: JSPUCPNQXKTYRO-LWILDLIXSA-N

物化性质展开↓

密度:
1.055g/cm3
熔点:
149-150℃ (chloroform )
沸点:
449.5ºC at 760 mmHg
闪点:
200ºC
折射率:
1.552

合成路线查看所有的合成路线

  • 55303-99-6

    2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione

  • ~93%

  • 55303-98-5

    阿瓦醇

  • 252577-53-0

    2-(pyridin-2-ylthio)-3-(((1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl)cyclohexa-2,5-diene-1,4-dione

  • ~83%

  • 55303-98-5

    阿瓦醇

  • 184485-48-1

    184485-48-1

  • 55303-98-5

    阿瓦醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ9026700
CHEMICAL NAME :
1,4-Benzenediol, 2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl- 1-naphthalenyl) methyl)-, (1R-(1-alpha,2-beta,4a-beta,8a-alpha))-
CAS REGISTRY NUMBER :
55303-98-5
LAST UPDATED :
199406
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C21-H30-O2
MOLECULAR WEIGHT :
314.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
269 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - mouse Cells - not otherwise specified
DOSE/DURATION :
3800 nmol/L
REFERENCE :
EJCODS European Journal of Cancer and Clinical Oncology. (Pergamon Press, c/o Elsevier Science, 660 White Plains Rd., Tarrytown, NY 10591) V.17(7)- 25, 1981-89. For publisher information, see EJCAEL Volume(issue)/page/year: 22,473,1986

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  • 252577-53-0

    2-(pyridin-2-ylthio)-3-(((1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl)cyclohexa-2,5-diene-1,4-dione

  • 55303-99-6

    2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione

  • 184485-49-2

    (4aS,5R,6S,8aS)-5-(2,5-dimethoxybenzyl)-5,6,8a-trimethyloctahydronaphthalen-1(2H)-one

  • 184485-47-0

    N/A

  • 184485-46-9

    N/A

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