3-phenylpropyl acetate 3-苯丙基乙酸酯

CAS 122-72-5 MFCD00026216

化学结构图

122-72-5
SMILES: CC(=O)OCCCc1ccccc1

化学属性

Mol. FormulaCH3CO2(CH2)3C6H5
Mol. Weight178
Density1.012 g/mL at 25 °C(lit.)
Refractive index1.4950 to 1.4970
Flash Point130°C(lit.)
TSCAYes
Boiling Point245°C
Appearance 无色液体。呈香辛料和鲜花香气。沸点244~245℃。混溶于乙醇,溶于油类,不溶于水。
Melting Point-60 °C

别名和识别编码

Chemical Name3-phenylpropyl acetate
Synonym 1-ACETOXY-3-PHENYLPROPANE 3-Phenylpropylacetate DIHYDRO CINNAMIC ACETATE 乙酸3-苯丙酯 3-phenyl-1-propanoacetate ACETIC ACID 3-PHENYLPROPYL ESTER 3-Acetoxy-1-phenylpropane PHENYL-3-PROPYL-ACETATE 3-PHENYL-1-PROPYL ACETATE Benzenepropanol,acetate 3-苯基-1-丙基乙酸酯 乙酸苯丙基酯 FEMA 2890 γ-Phenylpropyl acetate 3-苯基丙基乙酸酯 GAMMA-PHENYL-N-PROPYL ACETATE acetic acid-(3-phenyl-propyl ester) 1-Acetoxy-3-phenylpropan 3-Phenyl-1-propanol, acetate PHENYL PROPYL ACETATE gamma-Phenylpropyl acetate 3-PHENYL-1-PROPANOL ACETATE 3-PHENYLPROPYL ACETATE Benzenepropyl acetate 3-phenylpropyl acetate 1-Propanol, 3-phenyl-, acetate Hydrozimtacetate 3-Phenylpropylacetat HYDROCINNAMYL ACETATE 乙酸-3-苯基丙酯 Benzolpropanolacetat acetic acid 3-phenyl-propyl ester (3-Phenyl-1-propyl) acetate 3-Phenyl-1-propyl acetate BETA-PHENYLPROPYL ACETATE Phenylpropyl acetate 1-Acetoxy-3-phenylpropane 3-Phenylpropyl acetate Benzenepropanol, acetate HYDROXYCINNAMYL ACETATE (3-Acetoxypropyl)benzene Hydrocinnamyl acetate
MDL NumberMFCD00026216
CAS Number122-72-5
EC Number204-569-8
PubChem Substance ID31226
Chemical Name Translation3-苯丙基乙酸酯
Reaxys-RN744307
Wiswesser Line Notation1VO3R
Beilstein Registry Number0744307
LabNetwork Molecule IDLN01740026
InChIInChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
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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
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products, O-P, O-Z
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products, N-P, O-P, O-Z

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/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.

安全信息

RTECSUB9000000
WGK Germany2
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • 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。
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4700 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: 12,965,1974

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: 12,965,1974

其他信息

  • 图谱信息:乙酸-3-苯基丙酯 (122-72-5)质谱(MS)
  • Alfa Aesar:3-苯基-1-丙基乙酸酯,98% 3-Phenyl-1-propyl acetate, 98%(122-72-5)
  • 用途一:GB 2760-1996规定为允许使用的食用香料。主要用以配制蜂蜜、桃子、杏子、鹅莓等型香精。
  • 参考质量标准:FCC,1983 含量 ≥98.0% 折射率(n D 20 ) 1.494~1.497 相对密度(d 25 25 ) 1.012~1.015 酸值(OT-4) ≤1.0 醇中溶解度 lml溶于3mL 70%乙醇,澄明
  • Sigma Aldrich:122-72-5(sigmaaldrich)
  • 使用限量:FEMA(mg/kg):软饮料3.2;冷饮4.8;糖果4.6;焙烤食品6.3;胶姆糖10;调味品0.10。 适度为限(FDA§172.515,2000)。
  • 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-3-苯丙酯 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
  • 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89.12。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • FEMA:2890
  • MOL 文件:122-72-5.mol
  • Acros Organics:3-苯基丙基乙酸酯 3-Phenylpropyl acetate, 98+%(122-72-5)
  • TCI Shanghai:乙酸-3-苯基丙酯 3-Phenylpropyl Acetate,>;98.0%(GC)(122-72-5)
  • 毒性:GRAS(FEMA)。 LD 50 4700mg/kg(大鼠,经口)。
  • 上游原料:3-苯丙醇
  • 方法一:由苯丙醇乙酰化而得。

系列性分类


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