55719-85-2

• 常用中文名：(E)-2-甲基-2-丁烯酸-2-苯乙酯
• 常用英文名：2-Phenylethyl tiglate
• CAS号：55719-85-2
• 分子式：C₁₃H₁₆O₂
• 分子量：204.26500
• 发布时间：2018-06-21 16:10:57
• 更新时间：2024-01-11 10:24:06
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名称

• 中文名: (E)-2-甲基-2-丁烯酸-2-苯乙酯
• 英文名: 2-phenylethyl (E)-2-methylbut-2-enoate
• 英文别名: 2-Phenylethyl tiglate; Benzylcarbinyl tiglate; Phenylethyl tiglate; Phenethyl tiglate; Phenethyl 2-methylcrotonate; FEMA No. 2870

物化性质

• 密度: 1.012g/cm3
• 沸点: 306.3ºC at 760mmHg
• 分子式: C₁₃H₁₆O₂
• 分子量: 204.26500
• 闪点: 167.8ºC
• 精确质量: 204.11500
• PSA: 26.30000
• LogP: 2.73850
• 折射率: 1.513
• 计算化学:

  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

毒性和生态

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)

安全

• 个人防护装备: Eyeshields;Gloves
• 危险品运输编码: NONH for all modes of transport
• RTECS号: EM9255000
• 海关编码: 2916190090

海关

海关编码	2916190090
中文概述	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
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%