2-Butenoic acid,2-methyl-, 2-phenylethyl ester, (2E)-
- 中文别名：(E)-2-甲基-2-丁烯酸-2-苯乙酯
- 中文释义：(E)-2-甲基-2-丁烯酸-2-苯乙酯;惕各酸苯乙酯;(E)-2-苯乙醇2-甲基-2-丁烯酸酯;AA/HPA;Acrylic acid-2-hydroxypropyl acrylate-methyl acrylate copolymer;acrylic acid-hydroxypropyl acrylate copolymer;Acrylic Acid-2-Hydroxypropyl Acrylate Copolymer;AcrylicAcid-2-HydroxypropylAcrylateC
- 英文别名：2-phenylethyl (E)-2-methylbut-2-enoate;
2-Phenylethyl tiglate;
Benzylcarbinyl tiglate;
Phenylethyl tiglate;
Phenethyl tiglate;
Phenethyl 2-methylcrotonate;
FEMA No. 2870
- CAS No.：55719-85-2
- 分子式：C13H16O2
- 分子量：204.26
- 精确分子量：204.11500
- PSA：26.30000
- InChI：InChI=1/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+
- 分子结构式：
物化性质
- 密度：
- 1.012g/cm3
- 沸点：
- 306.3ºC at 760mmHg
- 闪点：
- 167.8ºC
- 折射率：
- 1.513
安全信息
- 密度：
- 1.012g/cm3
- 沸点：
- 306.3ºC at 760mmHg
- 闪点：
- 167.8ºC
- 折射率：
- 1.513
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EM9255000
- CHEMICAL NAME :
- 2-Butenoic acid, 2-methyl-, phenethyl ester
- CAS REGISTRY NUMBER :
- 55719-85-2
- BEILSTEIN REFERENCE NO. :
- 2523411
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C13-H16-O2
- MOLECULAR WEIGHT :
- 204.29
- WISWESSER LINE NOTATION :
- 2UY1&VO2R
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,909,1975 ** 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 :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,909,1975
- 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 :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,909,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6444 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)
海关数据
中国海关编码：2916190090
- 概述：
- 2916190090 其他不饱和无环一元羧酸（包括其酸酐、酰卤化物，过氧化物和过氧酸以及它们的衍生物）。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
- 监管条件：
- A.入境货物通关单B.出境货物通关单
- 检验检疫：
- R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
- 摘要/Summary：
- 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%
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:5
5.互变异构体数量:无
6.拓扑分子极性表面积26.3
7.重原子数量:15
8.表面电荷:0
9.复杂度:225
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
