2-Nonyne,1,1-dimethoxy-

物化性质

密度：

0.892g/cm3

沸点：

246.1ºC at 760mmHg

闪点：

80.4ºC

折射率：

1.44

蒸汽压：

0.0434mmHg at 25°C

安全信息

密度：

0.892g/cm3

沸点：

246.1ºC at 760mmHg

闪点：

80.4ºC

折射率：

1.44

蒸汽压：

0.0434mmHg at 25°C

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

RB3384000

CHEMICAL NAME :

2-Nonynal, dimethyl acetal

CAS REGISTRY NUMBER :

13257-44-8

LAST UPDATED :

199701

DATA ITEMS CITED :

4

MOLECULAR FORMULA :

C11-H20-O2

MOLECULAR WEIGHT :

184.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,779,1982 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,779,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,779,1982

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:3.3

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:6

5.互变异构体数量:无

6.拓扑分子极性表面积18.5

7.重原子数量:13

8.表面电荷:0

9.复杂度:159

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