4-异丙基-2-丙烯基甲苯
- 中文名称:
- 4-异丙基-2-丙烯基甲苯
- 中文别名:
- 4-异丙基-2-丙烯基甲苯;
拂地拉辛
- 英文名称:
- Benzene,1-methyl-4-(1-methylethyl)-2-(1-propen-1-yl)-
- 英文别名:
- 1-methyl-4-propan-2-yl-2-prop-1-enylbenzene;
Verdoracine;
4-Isopropyl-1-methyl-2-propenyl-benzol;
p-Cymene,2-propenyl;
2-Prop-1-enyl-p-cymene;
EINECS 238-347-7;
4-Isopropyl-1-methyl-2-propenylbenzene
- CAS No.:
- 14374-92-6
- 分 子 式:
-
C13H18
- 分 子 量:
- 174.31
- 精确分子量:
- 174.14100
- PSA:
- 0.00000
- EINECS:
- 238-347-7
- InChI:
- InChI=1/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H33
- 安全术语:
- Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
- 分子结构式:
-

- SDS:
- 查看
4-异丙基-2-丙烯基甲苯 物化性质
- 密度:
- 0.885 g/cm3
- 沸点:
- 245.6ºC at 760 mmHg
- 闪点:
- 97°C
- 折射率:
- 1.533
- 蒸汽压:
- 0.0446mmHg at 25°C
4-异丙基-2-丙烯基甲苯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DA6128000
- CHEMICAL NAME :
- Benzene, 1-methyl-4-(1-methylethyl)-2-(1-propenyl)-
- CAS REGISTRY NUMBER :
- 14374-92-6
- BEILSTEIN REFERENCE NO. :
- 2552678
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C13-H18
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- 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:
26,369,1988
- 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:
26,369,1988
4-异丙基-2-丙烯基甲苯 海关数据
中国海关编码:2902909090
- 概述:
- 2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
- 申报要素:
- 品名, 成分含量
- 摘要/Summary:
- 2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%
4-异丙基-2-丙烯基甲苯 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:0
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积:0
7.重原子数量:13
8.表面电荷:0
9.复杂度:167
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:1
15.共价键单元数量:1