甲苯基缩水甘油醚

甲苯基缩水甘油醚 基本信息
CAS号 26447-14-3 分子式 C10H12O2
分子量 164.20100 精确质量  164.08400
PSA  21.76000 LogP  1.77260

基本信息 展开↓

CAS号:
26447-14-3
分子式:
C10H12O2
分子量:
164.20100
中文名称:
甲苯基缩水甘油醚
英文名称:
Cresyl glycidyl ether
中文别名:
甲苯基缩水甘油醚;
对叔丁基苯基1-(2,3-环氧)丙基醚;
[(甲基苯氧基)甲基]环氧乙烷
英文别名:
Cresyl glycidyl ether;
tolylglycidylether;
cresylglycideether;
ARALDITE(R) CY 212;
cresolglycidylether;
ARALDITE 6005;
ARALDITE 502;
ARALDITE 506;
ARALDITE 507
精确分子量/精确质量:
164.08400
极性分子表面积/PSA:
21.76000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
247-711-4

物化性质展开↓

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

安全信息展开↓

危险类别码:
R61;R25;R36;R37;R38
危险标志:
Xn: Harmful;

毒理性展开↓

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)

分子结构与计算化学数据展开↓

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

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便