磷酸异癸基二苯酯

磷酸异癸基二苯酯 基本信息
CAS号 29761-21-5 分子式 C22H31O4P
分子量 390.45300 精确质量  390.19600
PSA  54.57000 LogP  7.26570

基本信息 展开↓

CAS号:
29761-21-5
分子式:
C22H31O4P
分子量:
390.45300
中文名称:
磷酸异癸基二苯酯
英文名称:
ISODECYL DIPHENYL PHOSPHATE
中文别名:
磷酸异癸基二苯酯;
磷酸二苯基异癸酯
英文别名:
ISODECYL DIPHENYL PHOSPHATE;
phosflex390;
Phosphoricacid,isodecyldiphenylester;
Mixture: isodecyldiphenyl phosphate;
Phosphoric acid isodesyldiphenyl ester;
Isodecyldiphenylphosphat;
santicizer148;
diphenylisodecylphosphate
精确分子量/精确质量:
390.19600
极性分子表面积/PSA:
54.57000
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:
249-828-6
InChI:
InChI=1/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3

物化性质展开↓

外观与性状:
透明无色液体
密度:
1.08 g/cm3
熔点:
<-50ºC
沸点:
448.4ºC at 760 mmHg
闪点:
238.3ºC
水溶解性:
0.75 mg l-1
折射率:
1.517
蒸汽压:
8.27E-08mmHg at 25°C

安全信息展开↓

包装等级:
III

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TC6200000
CHEMICAL NAME :
Phosphoric acid, isodecyl diphenyl ester
CAS REGISTRY NUMBER :
29761-21-5
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C22-H31-O4-P

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 :
>15800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,291,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>7900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,291,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,291,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6289 No. of Facilities: 778 (estimated) No. of Industries: 4 No. of Occupations: 9 No. of Employees: 20966 (estimated) No. of Female Employees: 1098 (estimated)

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):7.4

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:13

5.互变异构体数量:无

6.拓扑分子极性表面积:44.8

7.重原子数量:27

8.表面电荷:0

9.复杂度:391

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:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便