7-Oxabicyclo[4.1.0]heptane-3-methanol,4-methyl-, 3-acetate
- 中文别名：CAS号：106-85-4
- 中文释义：CAS号：106-85-4;4-甲基-7-氧杂双环[4.1.0]庚烷-3-甲醇醋酸
- 英文别名：(3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl acetate;
7-Oxabicyclo(4.1.0)heptane-3-methanol,4-methyl-,acetate;
Acetic acid,3,4-epoxy-6-methylcyclohexyl methyl ester;
6-Methyl-3,4-epoxycyclohexylmethyl acetate;
3,4-Epoxy-6-methylcyclohexylmethyl acetate;
4-Methyl-7-oxobicyclo(4.1.0)heptane-3-methanol,acetate
- CAS No.：106-85-4
- 分子式：C10H16O3
- 分子量：0
- 精确分子量：184.11000
- PSA：38.83000
- 分子结构式：
物化性质
- 密度：
- 1.059g/cm3
- 沸点：
- 239.5ºC at 760 mmHg
- 闪点：
- 100.4ºC
- 折射率：
- 1.461
- 蒸汽压：
- 0.0401mmHg at 25°C
安全信息
- 密度：
- 1.059g/cm3
- 沸点：
- 239.5ºC at 760 mmHg
- 闪点：
- 100.4ºC
- 折射率：
- 1.461
- 蒸汽压：
- 0.0401mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RN8760000
- CHEMICAL NAME :
- 7-Oxabicyclo(4.1.0)heptane-3-methanol, 4-methyl-, acetate
- CAS REGISTRY NUMBER :
- 106-85-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H16-O3
- MOLECULAR WEIGHT :
- 184.26
- WISWESSER LINE NOTATION :
- T36 BOTJ E1OV1 F
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9800 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 7940 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
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）:1.4
2.氢键供体数量:0
3.氢键受体数量:3
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38.8
7.重原子数量:13
8.表面电荷:0
9.复杂度:214
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:4
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
