1,1-二甲氧-2-壬炔
- 中文名称:
- 1,1-二甲氧-2-壬炔
- 中文别名:
- 1,1-二甲氧-2-壬炔;
1,1-二甲氧基-2-壬炔
- 英文名称:
- 2-Nonyne,1,1-dimethoxy-
- 英文别名:
- 1,1-dimethoxynon-2-yne;
1,1-dimethoxy-2-nonyne;
2-Nonyne,1,1-dimethoxy;
Parmavert;
2-Nonyl-1-al dimethyl acetal;
2-Nonynal dimethylacetal;
2-Nonyn-1-al dimethylacetal;
EINECS 236-249-9
- CAS No.:
- 13257-44-8
- 分 子 式:
-
C11H20O2
- 分 子 量:
- 184.31
- 精确分子量:
- 184.14600
- PSA:
- 18.46000
- EINECS:
- 236-249-9
- InChI:
- The Key: RPJGIPAAHSGBEZ-UHFFFAOYSA-N3
- 安全术语:
- Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
- 分子结构式:
-

- SDS:
- 查看
1,1-二甲氧-2-壬炔 物化性质
- 密度:
- 0.892g/cm3
- 沸点:
- 246.1ºC at 760mmHg
- 闪点:
- 80.4ºC
- 折射率:
- 1.44
- 蒸汽压:
- 0.0434mmHg at 25°C
1,1-二甲氧-2-壬炔 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RB3384000
- CHEMICAL NAME :
- 2-Nonynal, dimethyl acetal
- CAS REGISTRY NUMBER :
- 13257-44-8
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H20-O2
- MOLECULAR WEIGHT :
- 184.31
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year:
20,779,1982
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- 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:
20,779,1982
- 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:
20,779,1982
1,1-二甲氧-2-壬炔 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):3.3
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:6
5.互变异构体数量:无
6.拓扑分子极性表面积18.5
7.重原子数量:13
8.表面电荷:0
9.复杂度:159
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