2-二乙氨基乙硫醇

密度：

0.895 g/cm3

熔点：

127-129 °C(lit.)

沸点：

161.6ºC at 760 mmHg

闪点：

51.5ºC

折射率：

1.469

蒸汽压：

2.26mmHg at 25°C

海关代码：

2942000000

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R22:Harmful if swallowed.

安全说明：

S22-S24/25

RTECS号：

JP1185000

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KJ0525000

CHEMICAL NAME :

Ethanethiol, 2-(diethylamino)-

CAS REGISTRY NUMBER :

100-38-9

BEILSTEIN REFERENCE NO. :

0773677

LAST UPDATED :

199612

DATA ITEMS CITED :

5

MOLECULAR FORMULA :

C6-H15-N-S

MOLECULAR WEIGHT :

133.28

WISWESSER LINE NOTATION :

SH2N2&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

231 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

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: 13(7),26,1969

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

42500 mg/m3

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold

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: 13(7),26,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

96 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,289,1965

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

120 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes

REFERENCE :

AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 109,108,1957 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993

分子结构数据

1、 摩尔折射率：41.46 2、 摩尔体积（cm³/mol）：148.8 3、 等张比容（90.2K）：348.4 4、 表面张力（dyne/cm）：29.9 5、 极化率（10-24cm3）：16.43

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:1

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积4.2

7.重原子数量:8

8.表面电荷:0

9.复杂度:43.8

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

(2-氯乙基)-二乙胺 环硫乙烷 二乙氨基锂 二乙胺 2-(二乙氨基)乙醇 (2-氯乙基)-二乙胺 环硫乙烷 二乙氨基锂 二乙胺 2-(二乙氨基)乙醇

扁桃酸甲酯 2,2''''''-二硫基双三乙胺 扁桃酸甲酯 2,2''''''-二硫基双三乙胺