2-Phenylethyl Acetate 乙酸苯乙酯

CAS 103-45-7 MFCD00008720

化学结构图

103-45-7
SMILES: CC(=O)OCCc1ccccc1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Vapor Density5.67 (vs air)
Density1.032
Boiling Point233.3°C at 760 mmHg
Refractive index1.4970 to 1.4990
Flash Point110°C(lit.)
TSCAYes
Melting Point-31°
Solubility可忽略

别名和识别编码

Chemical Name2-Phenylethyl Acetate
MDL NumberMFCD00008720
CAS Number103-45-7
Synonym 2-Phenethyl acetate 2-Phenyl ethyl acetate 2-Phenylethyl acetate; Acetic acid 2-phenylethyl ester 2-Phenylethylacetat 2-phenethylacetate 2-phenyl-ethanoacetate ACETATO DE FENILETILO ACETIC ACID 2-PHENYLETHYL ESTER ACETIC ACID PHENETHYL ESTER B-PHENYLETHYL ACETATE BETA-PHENETHYL ACETATE Benzyl carbinyl acetate Benzylcarbinyl acetate Benzylcarbinylacetat Essigsäure-2-phenylethylester Ethanol, 2-phenyl-, acetate PHENETHYL ACETATE Phenethyl acetate {uni_hamburg} acetic acid phenethyl ester aceticacidphenylethylester beta-Phenethyl acetate phenethyl acetate 一酸苯乙酯 乙酸2-苯基乙酯 醋酸苯乙酯 乙酸Α-甲苄酯
PubChem Substance ID7654
Beilstein Registry Number638179
EC Number203-113-5
Reaxys-RN638179
Chemical Name Translation乙酸苯乙酯
Wiswesser Line Notation1VO2R
LabNetwork Molecule IDLN00196587
InChIInChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
Canonical SMILESCC(=O)OCCC1=CC=CC=C1
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分类

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

相关文献及参考

  • 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/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/6 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Madelung, O. Source: Landolt-Börnstein, New Series Volume: IV/6 Year: 1991 Keyword: organic compounds; dielectric constant; liquids; mixtures ISBN: 3-540-54417-8 ISBN: 978-3-540-54417-3 Internet Resource: DOI:10.1007/b44266 RefComment: VIII, 521 pages.
  • Short: EINECS Title: EI

安全信息

WGK Germany1
RTECSAJ2220000
Personal Protective Equipment Eyeshields, Gloves
Safety Statements
Signal word Warning
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3670 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/m3
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Blood - normocytic anemia
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 52(10),83,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3670 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 6210 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: 12,957,1974

TYPE OF TES

其他信息

  • 方法一:在醋酸钠存在下,由苯乙醇与醋酐反应而得。
  • 图谱信息:乙酸苯乙酯(103-45-7)核磁图( 1 HNMR) 乙酸苯乙酯(103-45-7)质谱(MS) 乙酸苯乙酯(103-45-7)核磁图( 13 CNMR) 乙酸苯乙酯(103-45-7)红外图谱(IR2) 乙酸苯乙酯(103-45-7)Raman光谱 乙酸苯乙酯(103-45-7)红外图谱(IR1)
  • 蒸气密度:5.67 (vs air)
  • MSDS 信息:乙酸苯乙酯(103-45-7).msds
  • 用途六:该品具有桃子香气,天然品在苹果、葡萄、杨梅、茶、甜酒、啤酒、威士忌酒、白兰地酒等中均存在。主要用作香料成分,成其实玫瑰型调和香料中,该品是不可缺的成分,在食品配料方面,主要用作蜂蜜、奶油、太妃糖等的香料。灵位,也用作杏、草莓等水果香糖。
  • 外观性质:无色液体,具有蜂蜜的香味。
  • 用途五:该品具桃子香气,天然品在苹果、葡萄、杨莓、茶、添酒、啤酒、威斯忌酒、白兰地酒等中均有存在。主要用作香料成分,成其是玫瑰型调合香料中,该品是不可欠缺的成分,在食品配料方面,主要用作蜂蜜、奶油、太妃糖等的香料。另外,也用作杏、草莓等水果香精。
  • Alfa Aesar:2-苯基乙酸乙酯,98% 2-Phenyle
  • {Chemi
  • 使用限量:FEMA(mg/kg):软饮料1.4;冷饮2.2;糖果4.2;焙烤食品5.6。 适度为限(FDA§172.515,2000)。
  • 用途二:用作溶剂,也用于有机合成
  • 方法二:在醋酸钠存在下,将乙酸或乙酐与β-苯乙醇加热反应,反应产物经洗涤、减压蒸馏,即得乙酸苯乙酯。
  • 用途三:GB 2760—1996规定为允许使用的食用香料。主要用以配制水果、奶油、焦糖、蜂蜜、桃、杏、李、苹果和香草等型香精。亦用作玫瑰型香精协调剂。
  • 含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为1g。计算中的当量因子(e)取82.10。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • Acros Organics:乙酸-2-苯乙酯 2-Phenylethyl acetate, 98+%(103-45-7)
  • 用途一:用于配制玫瑰、茉莉及风信子香精
  • 海关编码:29153990
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 乙酸苯乙酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 用途四:用于玫瑰、栀子的花香型甚好,特别是白玫瑰中不可缺少。也适合用于紫罗兰、茉莉、橙花、香石竹、风信子、晚香玉、水仙、桂花等花香型及东方香型、柑橘型等,还常用于香皂、清洁剂、化妆品、喷雾剂、防臭剂的加香,能充实体香。它有桃子香,可用于食用香精,如奶油、桃子、草莓等果香,以及香荚兰豆、玫瑰花等香型中。
  • 上游原料:醋酸钠 --> 苯乙醇
  • 乙酸苯乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0692 乙酸-2-苯基乙酯 2-Phenylethyl Acetate 500G 558元 2014/06/02 A0692 乙酸-2-苯基乙酯 2-Phenylethyl Acetate 25G 124元 2010/05/25 B21238 2-苯基乙酸乙酯, 98% 2-Phenylethyl acetate, 98% 250g 351元
  • MOL 文件:103-45-7.mol
  • TCI Shanghai:乙酸-2-苯基乙酯 2-Phenylethyl Acetate,>;98.0%(GC)(103-45-7)
  • 参考质量标准:FCC,1996 含酯量(CloHl2O2计) ≥98.0% 折射率(n D 20 ) 1.497~1.501 相对密度(d 25 25 ) 1.030~1.034

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