酸式磷酸戊酯; 戊基二氢磷酸酯

外观与性状：

一种无色液体

密度：

1.23g/cm3

沸点：

285.6ºC at 760mmHg

闪点：

126.5ºC

折射率：

1.452

蒸汽压：

0.000714mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥,与氧化剂、碱分开存放

包装等级：

III

CHEMICAL IDENTIFICATION

RTECS NUMBER :

TC6700000

CHEMICAL NAME :

Phosphoric acid, pentyl ester

CAS REGISTRY NUMBER :

12789-46-7

LAST UPDATED :

199504

DATA ITEMS CITED :

3

MOLECULAR FORMULA :

C5-H13-O4-P

MOLECULAR WEIGHT :

168.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>250 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,37,1953 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2716 No. of Facilities: 5 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 27 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2716 No. of Facilities: 6320 (estimated) No. of Industries: 75 No. of Occupations: 57 No. of Employees: 86830 (estimated) No. of Female Employees: 7961 (estimated)

计算化学数据

1.疏水参数计算参考值（XlogP）:0.2

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积:66.8

7.重原子数量:10

8.表面电荷:0

9.复杂度:119

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