2,6,10-三甲基-9-烯-十一醛

外观与性状：

无色至淡黄色液体

密度：

0.837 g/cm3

沸点：

286.9ºC at 760 mmHg

闪点：

130.5ºC

折射率：

1.445

蒸汽压：

0.00257mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :

YQ7140000

CHEMICAL NAME :

9-Undecenal, 2,6,10-trimethyl-

CAS REGISTRY NUMBER :

141-13-9

LAST UPDATED :

199701

DATA ITEMS CITED :

4

MOLECULAR FORMULA :

C14-H26-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LDLo - Lowest published lethal dose

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: 30(Suppl),133S,1992

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: 30(Suppl),133S,1992 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0428 No. of Facilities: 810 (estimated) No. of Industries: 3 No. of Occupations: 4 No. of Employees: 6221 (estimated) No. of Female Employees: 2434 (estimated)

分子结构数据

1、  摩尔折射率：66.91

2、  摩尔体积（cm³/mol）：251.1

3、  等张比容（90.2K）：576.1

4、  表面张力（dyne/cm）：27.7

5、  极化率（10-24cm3）：26.52

计算化学数据

1.疏水参数计算参考值（XlogP）:5

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:8

5.互变异构体数量:2

6.拓扑分子极性表面积17.1

7.重原子数量:15

8.表面电荷:0

9.复杂度:190

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:2

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

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