cas号： 84494-70-2 ，名称：二十烷五烯酸乙酯的性质/作用/用途-化学加百科

二十烷五烯酸乙酯

二十烷五烯酸乙酯基本信息
CAS号	84494-70-2	分子式	C22H34O2
分子量	330.50400	精确质量	330.25600
PSA	26.30000	LogP	6.47120

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基本信息物化性质毒性结构与计算数据

基本信息展开↓

CAS号：: 84494-70-2
分子式：: C22H34O2
分子量：: 330.50400
中文名称：: 二十烷五烯酸乙酯
英文名称：: EICOSAPENTAENOIC ACID ETHYL ESTER
中文别名：: 二十烷五烯酸乙酯;
二十碳五烯酸乙酯
英文别名：: EICOSAPENTAENOIC ACID ETHYL ESTER;
12-Oxa-2,6,10-triazatetradecanoic acid,4,8-dihydroxy-13,13-dimethyl-3-[[4-[3-(4-morpholinyl)propoxy]phenyl]methyl]-11-oxo-9-(phenylmethyl)-,1,1-dimethylethyl ester,[3S-(3R*,4S*,8S*,9R*)]
精确分子量/精确质量：: 330.25600
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。

物化性质展开↓

密度：: 0.909g/cm3
沸点：: 417ºC at 760 mmHg
闪点：: 103.1ºC
折射率：: 1.495

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: JX3840000

CHEMICAL NAME :: 5,8,11,14,17-Eicosapentaenoic acid, ethyl ester

CAS REGISTRY NUMBER :: 84494-70-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C22-H34-O2

MOLECULAR WEIGHT :: 330.56

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 :: >20 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15 gm/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - other changes

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >20 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >20 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >20 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >20 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 20,801,1989

毒理学数据：

急性毒性：大鼠经口LD50：>20mg/kg；大鼠腹膜腔LD50：15mg/kg；大鼠皮下LD50：>20mg/kg；小鼠经口LD50：>20mg/kg；

小鼠腹膜腔LD50：>20mg/kg；小鼠皮下LD50：>20mg/kg；

分子结构与计算化学数据展开↓

计算化学数据

1、疏水参数计算参考值（XlogP）：6.3

2、氢键供体数量：0

3、氢键受体数量：2

4、可旋转化学键数量：15

5、互变异构体数量：

6、拓扑分子极性表面积（TPSA）：26.3

7、重原子数量：24

8、表面电荷：0

9、复杂度：425

10、同位素原子数量：0

11、确定原子立构中心数量：0

12、不确定原子立构中心数量：0

13、确定化学键立构中心数量：5

14、不确定化学键立构中心数量：0

15、共价键单元数量：1