2,3-二甲基戊醛
- 中文名称:
- 2,3-二甲基戊醛
- 中文别名:
- 2,3-二甲基戊醛;
2,3-二甲基戊醛
- 英文名称:
- Pentanal, 2,3-dimethyl-
- 英文别名:
- 2,3-DIMETHYLPENTANAL;
Einecs 251-193-5;
2,3-dimethyl-valeraldehyd;
2,3-dimethylvaleraldehyde;
dimethyl-2,3 pentanal;
2,3-Dimethylpentaldehyde;
2,3-dimethyl pentanal;
Pentanal,2,3-dimethyl;
Butanal,3-ethyl-2-methyl;
2,3-dimethylpentan-1-al
- CAS No.:
- 32749-94-3
- 分 子 式:
-
C7H14O
- 分 子 量:
- 114.19
- 精确分子量:
- 114.10400
- PSA:
- 17.07000
- EINECS:
- 251-193-5
- InChI:
- InChI=1/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H33
- 风险术语:
- 10
- 分子结构式:
-
- SDS:
- 查看
2,3-二甲基戊醛 物化性质
- 密度:
- 0.803 g/cm3
- 熔点:
- -110ºC
- 沸点:
- 134.5ºC at 760 mmHg
- 闪点:
- 58.3ºC
- 折射率:
- 1.401
2,3-二甲基戊醛 安全信息
- 包装等级:
- III
- 风险类别:
- 3.2
- 海关代码:
- 2912190090
- 危险类别码:
- R10
- 安全说明:
- 16
2,3-二甲基戊醛 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YV3850000
- CHEMICAL NAME :
- Valeraldehyde, 2,3-dimethyl-
- CAS REGISTRY NUMBER :
- 32749-94-3
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H14-O
- MOLECULAR WEIGHT :
- 114.21
- WISWESSER LINE NOTATION :
- VHY1&Y2&1
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 :
- 3540 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 :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >6000 ppm/4H
- 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 :
- 7100 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
2,3-二甲基戊醛 海关数据
中国海关编码:2912190090
- 概述:
- HS: 2912190090. 其他无环醛(不含其他含氧基). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
- 申报要素:
- 品名, 成分含量, 用途, 四聚甲醛报明外观
- 摘要/Summary:
- 2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
2,3-二甲基戊醛 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):2.1
2.氢键供体数量:0
3.氢键受体数量:1
4.可旋转化学键数量:3
5.互变异构体数量:2
6.拓扑分子极性表面积:17.1
7.重原子数量:8
8.表面电荷:0
9.复杂度:68.8
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:2
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