顺-2-哌啶子基环己烷-1-醇
- 中文名称:
- 顺-2-哌啶子基环己烷-1-醇
- 中文别名:
- 顺-2-哌啶子基环己烷-1-醇
- 英文名称:
- Hexanedioic acid,1,6-bis[2-(2-ethylbutoxy)ethyl] ester
- 英文别名:
- bis[2-(2-ethylbutoxy)ethyl] hexanedioate;
Hexanedioic acid,1,6-bis[2-(2-ethylbutoxy)ethyl] ester
- CAS No.:
- 7790-07-0
- 分 子 式:
-
C22H42O6
- 分 子 量:
- 402.64
- 精确分子量:
- 402.29800
- PSA:
- 71.06000
- InChI:
- The Key: VHCPQIOKWWQIRV-UHFFFAOYSA-N3
- 安全术语:
- Moderately toxic by ingestion. Mildly toxic by skin contact. Skin and eye irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
- 分子结构式:
-

- SDS:
- 查看
顺-2-哌啶子基环己烷-1-醇 物化性质
- 密度:
- 0.976g/cm3
- 沸点:
- 463.5ºC at 760 mmHg
- 闪点:
- 194.6ºC
- 折射率:
- 1.45
- 存储条件/存储方法:
- 库房通风低温干燥,与食品原料分开存放
顺-2-哌啶子基环己烷-1-醇 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AU9625000
- CHEMICAL NAME :
- Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester
- CAS REGISTRY NUMBER :
- 7790-07-0
- BEILSTEIN REFERENCE NO. :
- 1806612
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C22-H42-O6
- MOLECULAR WEIGHT :
- 402.64
- WISWESSER LINE NOTATION :
- 2Y2&1O2OV4VO2O1Y2&2
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 :
- 3250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
(Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU.
Volume(issue)/page/year: 10,61,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 4240 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
(Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU.
Volume(issue)/page/year: 10,61,1954
顺-2-哌啶子基环己烷-1-醇 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):4.4
2.氢键供体数量:0
3.氢键受体数量:6
4.可旋转化学键数量:21
5.互变异构体数量:无
6.拓扑分子极性表面积:71.1
7.重原子数量:28
8.表面电荷:0
9.复杂度:341
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