Phenethyl Formate 甲酸苯基乙酯

CAS 104-62-1 MFCD00021046

化学结构图

104-62-1
SMILES: O=COCCc1ccccc1

化学属性

Mol. FormulaC9H10O2
Mol. Weight150.18
Refractive index1.5060 to 1.5080
Boiling Point117°C/30mmHg(lit.)
Density1.058 g/mL at 25 °C(lit.)
Flash Point103°C(lit.)
Appearance 4 无色液体，呈玫瑰香气，近似风信子和菊花香气，略有未熟梅子似甜味。沸点226℃，闪点91℃。相对密度(d )1.066～1.070。略溶于水，溶于大多数常用有机溶剂。 15

别名和识别编码

Chemical NamePhenethyl Formate
MDL NumberMFCD00021046
CAS Number104-62-1
Synonym 2-Phenylethyl formate B-PHENYLETHYL FORMATE Benzeneethanol, formate PHENETHYL FORMATE 2-Phenethyl formate PHENYL ETHYL FORMATE Benzyl carbinyl formate Phenethyl alcohol, formate 甲酸苯乙酯 beta-Phenylethyl formate BETA PHENYL ETHYL FORMATE PHENYLETHYL METHANOATE FORMIC ACID 2-PHENYLETHYL ESTER Phenethyl formate 2-fenylethylesterkyselinymravenci PE FORMATE Benzylcarbinyl formate phenethylalcohol,formate FEMA 2864 FORMIC ACID PHENETHYL ESTER beta-Phenethyl formate Phenylethyl formate 2-Fenylethylester kyseliny mravenci 甲酸-2-苯乙酯 benzylcarbinylformate FORMIC ACID 2-PENTYLETHYL ESTER 2-PHENYLETHYL FORMATE
PubChem Substance ID87570134
Reaxys-RN2044524
Chemical Name Translation甲酸苯基乙酯
EC Number203-220-7
Wiswesser Line NotationVHO2R
Beilstein Registry Number2044524
LabNetwork Molecule IDLN01742364
InChIInChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
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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
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Kosher Certified Products, N-P, O-P, O-Z

相关文献及参考

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • 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。
Signal word Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Hazard Codes Xi
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
RTECSLQ9400000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3220 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: 12,959,1974

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: 12,959,1974

其他信息

  • 使用限量:FEMA(mg/kg)：饮料1.3；冷饮11；糖果13；焙烤制品15。
  • 毒性:可安全用于食品(FDA，§172．515，2000)。
  • 方法一:由苯乙醇和甲酸直接酯化而得。
  • FEMA:2864
  • Sigma Aldrich:104-62-1(sigmaaldrich)
  • 图谱信息:甲酸-2-苯乙酯 (104-62-1)核磁图( 1 HNMR) 甲酸-2-苯乙酯 (104-62-1)Raman光谱 甲酸-2-苯乙酯 (104-62-1)质谱(MS) 甲酸-2-苯乙酯 (104-62-1)红外图谱(IR1) 甲酸-2-苯乙酯 (104-62-1)核磁图( 13 CNMR)
  • TCI Shanghai:甲酸-2-苯乙酯 2-Phenylethyl Formate,>;95.0%(GC)(104-62-1)
  • 上游原料:苯乙醇
  • MOL 文件:104-62-1.mol

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. O-Z - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. O-P - Alphabetical Listings

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