吉法酯

吉法酯 基本信息
CAS号 51-77-4 分子式 C27H44O2
分子量 400.63700 精确质量 　400.33400
PSA 　26.30000 LogP 　8.42170
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等价的CAS号：

51-77-4,16898-88-7,30462-45-4,30462-46-5,30462-48-7
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
51-77-4
3D弹球模型：
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分子式：
C27H44O2
分子量：
400.63700
中文名称：
吉法酯
英文名称：
[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
中文别名：
吉法酯;
[(2E)-3,7-二甲基辛-2,6-二烯基] (4E,8E)-5,9,13-三甲基十四碳-4,8,12-三烯酸酯
英文别名：
[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate;
DA-688;
Geranyl farnesylacetate;
(4E,8E)-Farnesylacetic acid geranyl ester;
Gefarnate [INN:BAN:JAN];
Gefarnato [INN-Spanish];
trans-(4,5),trans-(8,9)-Farnesylessigsaeure-geranylester;
Gefarnil;
EINECS 200-121-0;
(E)-Geranyl (E,E)-farnesylacetate;
Gefarnatum [INN-Latin];
gefarnate;
Gefarnyl
精确分子量/精确质量：
400.33400
极性分子表面积/PSA：
26.30000
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。
EINECS：
200-121-0
InChI：
InChI=1/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+

物化性质展开↓

密度：
0.9g/cm3
沸点：
484.7ºC at 760mmHg
闪点：
93.3ºC
折射率：
1.489

合成路线查看所有的合成路线

  • 80868-14-0

    (E)-Geranyl α-(E,E)-farnesyl-α-p-tolylsulfonylacetate

  • →

    ~75%

  • 51-77-4

    吉法酯

  • 106-24-1

    香叶醇

  • +

  • 26732-80-9

    3,7,11-Trimethyl-2,6,10-dodecatrienylmalonic acid diethyl ester

  • →

  • 30462-48-7

    30462-48-7

  • +

  • 51-77-4

    吉法酯

  • 80868-13-9

    (E)-Geranyl p-toluenesufonylacetate

  • →

  • 51-77-4

    吉法酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XB8890000
CHEMICAL NAME :
4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E,E)-
CAS REGISTRY NUMBER :
51-77-4
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C27-H44-O2
MOLECULAR WEIGHT :
400.71
WISWESSER LINE NOTATION :
1Y1&U3Y1&U3Y1&U3VO2UY1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>9 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2040 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>13500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2821 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,457,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>13500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,266,1982

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