Phenethyl propionate 丙酸苯乙酯

CAS 122-70-3 MFCD00027008

化学结构图

122-70-3
SMILES: CCC(=O)OCCc1ccccc1

化学属性

Mol. FormulaC6H5(CH2)2OCOC2H5
Mol. Weight178
Density1.007
Refractive index1.4920 to 1.4960
Flash Point106°(223°F)
TSCAYes
Boiling Point244°C(lit.)
Appearance D 20 天然品存在于花生仁等中。 25 )1.493～1.496。不溶于水，溶于丙二醇和稀乙醇(1：4，70%)。 )1.010～1.014，折射率(n 无色至微黄色近油状液体，呈香甜红玫瑰似香气，有水果底香，似浓厚的甜的蜂蜜和草莓风味。沸点245℃，闪点＞100℃。相对密度(d

别名和识别编码

Chemical NamePhenethyl propionate
CAS Number122-70-3
MDL NumberMFCD00027008
Synonym Phenylethyl n-propionate benzylcarbinylpropionate 2-Phenylethyl propionate ent18544 Phenethyl alcohol, propionate 2-Phenethyl propionate 2-苯基乙基丙酸酯 Benzylcarbinyl propionate phenylethyl propanoate Phenylethanol propanoate 丙酸-2-苯乙酯 丙酸苯乙酯 Phenethyl propanoate PHENYL ETHYL PROPIONATE Propanoic acid, 2-phenylethyl ester 2-Phenyl ethyl propanoate Phenethyl propionate 2-Phenylethanol, propanoate ENT 18544 FEMA 3867 PHENETHYL PROPIONATE phenylethyl
EC Number204-567-7
PubChem Substance ID31225
Reaxys-RN2097455
Beilstein Registry Number6(3)1709
Chemical Name Translation丙酸苯乙酯
Wiswesser Line Notation2VO2R
LabNetwork Molecule IDLN00223596
InChIInChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
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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
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P, O-P, O-Z
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P, O - Z, O-P, O-Z

相关文献及参考

安全信息

RTECSUF6488000
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Signal word
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。
  • 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 Codes Xi
Safety Statements
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
GHS Symbol 
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: 12,963,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4 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: 12,963,1974

其他信息

  • 方法一:由苯乙醇和丙酸在浓硫酸存在下直接酯化而成。
  • Acros Organics:丙酸-2-苯乙酯 2-Phenylethylpropionate,98+%(122-70-3)
  • FEMA:2867
  • Alfa Aesar:2-苯基乙基丙酸酯,97% 2-Phenylethyl propionate, 97%(122-70-3)
  • Sigma Aldrich:122-70-3(sigmaaldrich)
  • 使用限量:FEMA(mg/kg)：软饮料3.6；冷饮11.0；糖果12.0；焙烤食品16.0。
  • 用途一:GB 2760--1996规定为允许使用的食品用香料。
  • 毒性:可安全用于食品(FDA，§172．515，2000)。
  • 上游原料:苯乙醇
  • MOL 文件:122-70-3.mol

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds

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