甲苯基缩水甘油醚

外观与性状：

无色液体

密度：

1.14

沸点：

258ºC at 760 mmHg

闪点：

104.3ºC

水溶解性：

<=0.1 g/100 mL at 21 °C

折射率：

1.533

蒸汽压：

0.0227mmHg at 25°C

危险类别码：

R61;R25;R36;R37;R38

危险标志：

Xn: Harmful;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

TZ3699000

CHEMICAL NAME :

Propane, 1,2-epoxy-3-(tolyloxy)-

CAS REGISTRY NUMBER :

26447-14-3

LAST UPDATED :

199710

DATA ITEMS CITED :

13

MOLECULAR FORMULA :

C10-H12-O2

MOLECULAR WEIGHT :

164.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

5140 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

282 mg/m3

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1700 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

310 mg/m3

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

2 mL/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Skin and Appendages - dermatitis, other (after systemic exposure) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

1650 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :

Mutation in microorganisms

TEST SYSTEM :

Yeast - Saccharomyces cerevisiae

DOSE/DURATION :

1 mg/plate

REFERENCE :

TSCAT* Office of Toxic Substances Report. (U.S. Environmental Protection Agency, Office of Toxic Substances, 401 M St., SW, Washington, DC 20460) Volume(issue)/page/year: OTS 206476 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0038 No. of Facilities: 63 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 524 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0038 No. of Facilities: 119 (estimated) No. of Industries: 10 No. of Occupations: 11 No. of Employees: 4507 (estimated) No. of Female Employees: 1696 (estimated)

计算化学数据

1.疏水参数计算参考值（XlogP）:2

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:3

5.互变异构体数量:无

6.拓扑分子极性表面积:21.8

7.重原子数量:12

8.表面电荷:0

9.复杂度:139

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:1

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