all-trans-18-Hydroxy Retinoic Acid

all-trans-18-Hydroxy Retinoic Acid 基本信息
CAS号 63531-93-1 分子式 C20H28O3
分子量 316.43500 精确质量  316.20400
PSA  57.53000 LogP  4.57500

基本信息 展开↓

CAS号:
63531-93-1
3D弹球模型:
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分子式:
C20H28O3
分子量:
316.43500
英文名称:
all-trans-18-Hydroxy Retinoic Acid
英文别名:
all-trans-18-Hydroxy Retinoic Acid;
(9cis,13cis)-18-Hydroxyretinoic acid
精确分子量/精确质量:
316.20400
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: XSJOIRFEYHJNAW-FCKHSPHMSA-N

物化性质展开↓

密度:
1.069g/cm3
沸点:
514.3ºC at 760 mmHg
闪点:
278.9ºC
折射率:
1.57

合成路线查看所有的合成路线

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    (2E,4E,6E,8E)-9-(2-((1-ethoxyethoxy)methyl)-6,6-dimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

  • ~81%

  • 63531-93-1

    all-trans-18-Hydroxy Retinoic Acid

  • 81176-71-8

    ethyl (2E,4E,6E,8E)-9-[2-(acetoxymethyl)-6,6-dimethyl-1-cyclohexen-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraenoate

  • ~15%

  • 63531-93-1

    all-trans-18-Hydroxy Retinoic Acid

  • +

  • 81132-94-7

    8-(7,7-dimethyl-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)-3,7-dimethylocta-3,5,7-trienoic acid

  • 81176-71-8

    ethyl (2E,4E,6E,8E)-9-[2-(acetoxymethyl)-6,6-dimethyl-1-cyclohexen-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraenoate

  • 63531-93-1

    all-trans-18-Hydroxy Retinoic Acid

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RA8455000
CHEMICAL NAME :
2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(6,6-dimethyl-2-(hydroxymethyl)-1-cycl ohexen-1- yl)-, (E)-
CAS REGISTRY NUMBER :
63531-93-1
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H28-O3
MOLECULAR WEIGHT :
316.48

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
9800 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 95,122,1988

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