特丁贝罗

特丁贝罗 基本信息
CAS号 56488-59-6 分子式 C20H24O5
分子量 344.40200 精确质量 　344.16200
PSA 　75.99000 LogP 　3.50100
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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：
56488-59-6
3D弹球模型：
立即前往扯扯看
分子式：
C20H24O5
分子量：
344.40200
中文名称：
特丁贝罗
英文名称：
4-[3-(4-tert-butylphenoxy)-2-hydroxypropoxy]benzoic acid
中文别名：
特丁贝罗
英文别名：
4-[3-(4-tert-butylphenoxy)-2-hydroxypropoxy]benzoic acid;
4'-(3-(4'-t-Butylphenoxy)-2-hydroxypropoxy)benzoic acid;
4-(3-(4-(1,1-Dimethylethyl)phenoxy)-2-hydroxypropoxy)benzoic acid;
K-11,267;
Terbufibrolum [INN-Latin];
BENZOIC ACID,p-(3-(p-tert-BUTYLPHENOXY)-2-HYDROXYPROPOXY);
Terbufibrol;
p-(3-(p-tert-Butylphenoxy)-2-hydroxypropoxy)benzoic acid;
Terbufibrolum;
Benzoic acid,4-(3-(4-(1,1-dimethylethyl)phenoxy)-2-hydroxypropoxy)
精确分子量/精确质量：
344.16200
极性分子表面积/PSA：
75.99000
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: PXODZCMXOZRVEN-UHFFFAOYSA-N

物化性质展开↓

密度：
1.179g/cm3
沸点：
524.1ºC at 760mmHg
闪点：
183.4ºC
折射率：
1.566
存储条件/存储方法：
库房通风低温干燥

合成路线查看所有的合成路线

  • 3101-60-8

    4-叔丁基苯基缩水甘油醚

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    methyl 4-(3-(4-(tert-butyl)phenoxy)-2-hydroxypropoxy)benzoate

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    特丁贝罗

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG4927000
CHEMICAL NAME :
Benzoic acid, p-(3-(p-tert-butylphenoxy)-2-hydroxypropoxy)-
CAS REGISTRY NUMBER :
56488-59-6
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C20-H24-O5
MOLECULAR WEIGHT :
344.44
WISWESSER LINE NOTATION :
QVR DO1YQ1OR DX1&1&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 :
2400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,140,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,140,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,140,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
335 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,140,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,140,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,140,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,140,1979

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