4-Methoxybenzoic Acid Ethyl Ester 茴香酸乙酯

CAS 94-30-4 MFCD00015151

化学结构图

94-30-4
SMILES: CCOC(=O)c1ccc(OC)cc1

化学属性

Mol. FormulaC10H12O3
Mol. Weight180.20
Density1.103 g/mL at 25 °C(lit.)
Refractive index1.5230 to 1.5260
Flash Point138°C(lit.)
TSCAYes
Boiling Point263
Melting Point7-8
Appearance 无色至微黄色液体,呈淡的水果和茴香香气。熔点7~8℃;沸点270℃;闪点100℃以上。溶于乙醇、乙醚和氯仿,微溶于水。

别名和识别编码

Chemical Name4-Methoxybenzoic Acid Ethyl Ester
MDL NumberMFCD00015151
CAS Number94-30-4
Synonym p-Anisic acid, ethyl ester Benzoic acid, p-methoxy-, ethyl ester ETHYL ANISATE 4-methoxy-benzoic acid ethyl ester Ethyl-4-methoxybenzoat ethyl 4-methoxybenzoate Ethyl 4-methoxybenzoate, 98+% ETHYL P-ANISATE 97+% FCC P-ANISIC ACID ETHYL ESTER p-Methoxy benzhydrazide Ethyl p-anisoate {uni_hamburg Ethyl p-methoxybenzoate ethyl p-methoxybenzoate Ethyl-p-methoxybenzoat 天然茴香酸乙酯 Benzoic acid, p-methoxy-, ethyl ester Benzoic acid, 4-methoxy-, ethyl ester Ethyl anisate p-methoxy-benzoicaciethylester 4-甲氧基苯甲酸乙酯, 98+% Ethyl p-anisate4-Methoxybenzoic acid ethyl ester FEMA 2420 ETHYL P-ANISATE
EC Number202-320-8
Beilstein Registry Number10(3)300
PubChem Substance ID87562440
Reaxys-RN2209700
Chemical Name Translation茴香酸乙酯
Wiswesser Line Notation2OVR DO1
LabNetwork Molecule IDLN01358328
InChIInChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-F, E-G, Flavors and Fragrances, Halal Certified Products
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; ether; 1fragment
  • {SNA} Alphabetical Listings, E - H, E-F, Flavors and Fragrances, Halal Certified Products
  • {SNA} Alphabetical Listings, E-F, Flavors and Fragrances, Halal Certified Products

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.

安全信息

RTECSBZ4697000
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves
Safety Statements
Signal word Warning
GHS Symbol
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2040 mg/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: 14,757,1976

其他信息

  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾
  • 毒性:GRAS(FEMA)。 LD 50 2040 mg/kg(大鼠,经口)。
  • 储运特性:库房通风低温干燥
  • 用途一:GB 2760—1996允许使用的食用香料。主要用于配制茴芹、小茴香、甘草等型香精。
  • 毒性分级:中毒
  • 参考质量标准:FCC,1996 含量 ≥97.0% 折射率(n D 20 ) 1.522~1.526 相对密度(d 25 25 ) 1.101~l.104 酸值(OT-4) ≤l.0 醇中溶解度 1m1溶于7mI,60%乙醇,澄明
  • MSDS 信息:4-Methoxybenzoic acid ethyl ester(94-30-4).msds
  • 含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为1.2g。计算中的当量因子(e)取90.10。 或按GT-10-4中用非极性柱方法测定。
  • MOL 文件:94-30-4.mol
  • FEMA:2420
  • 方法一:由对甲氧基苯甲酸和乙醇在酸的催化下酯化而成。
  • TCI Shanghai:对茴香酸乙酯 Ethyl p-Anisate,>;99.0%(GC)(94-30-4)
  • 使用限量:FEMA(mg/kg):软饮料2.6;冷饮0.96;糖果8.8;焙烤食品7.2。 适度为限(FDA§172.515,2000)。
  • 图谱信息:对甲氧基苯甲酸乙酯(94-30-4)质谱(MS) 对甲氧基苯甲酸乙酯(94-30-4)Raman光谱 对甲氧基苯甲酸乙酯(94-30-4)核磁图( 13 CNMR) 对甲氧基苯甲酸乙酯(94-30-4)核磁图( 1 HNMR) 对甲氧基苯甲酸乙酯(94-30-4)红外图谱(IR2) 对甲氧基苯甲酸乙酯(94-30-4)红外图谱(IR1)
  • Sigma Aldrich:94-30-4(sigmaaldrich)
  • 对甲氧基苯甲酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0933 对茴香酸乙酯 Ethyl p-Anisate 500ML 1960元 2014/06/02 A0933 对茴香酸乙酯 Ethyl p-Anisate 25ML 254元 2010/05/25 A14008 4-甲氧基苯甲酸乙酯, 98+% Ethyl 4-methoxybenzoate, 98+% 250g 1848元
  • 上游原料:对甲氧基苯甲酸
  • 急性毒性:口服-大鼠 LD50: 2040 毫克/公斤
  • 类别:易燃液体
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • Alfa Aesar:4-甲氧基苯甲酸乙酯,98+% Ethyl 4-methoxybenzoate, 98+%(94-30-4)

系列性分类