二苯基十四烷

密度：

1.073g/cm3

沸点：

308.9ºC at 760 mmHg

闪点：

121.2ºC

折射率：

1.447

CHEMICAL IDENTIFICATION

RTECS NUMBER :

RH0385000

CHEMICAL NAME :

Octanoic acid, 8-chloro-6-oxo-, ethyl ester

CAS REGISTRY NUMBER :

50628-91-6

LAST UPDATED :

199212

DATA ITEMS CITED :

3

MOLECULAR FORMULA :

C10-H17-Cl-O3

MOLECULAR WEIGHT :

220.72

WISWESSER LINE NOTATION :

G2V4VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

615 mg/kg

TOXIC EFFECTS :

Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 21(10),39,1977

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

91 mg/m3

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 21(10),39,1977 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993

计算化学数据

1.疏水参数计算参考值（XlogP）:1.3

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:9

5.互变异构体数量:3

6.拓扑分子极性表面积:43.4

7.重原子数量:14

8.表面电荷:0

9.复杂度:180

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