Phenethyl Butyrate 丁酸苯乙酯

CAS 103-52-6 MFCD00048718

化学结构图

103-52-6
SMILES: CCCC(=O)OCCc1ccccc1

化学属性

Mol. FormulaC12H16O2
Mol. Weight192.25
Refractive indexn20/D 1.49(lit.)
Boiling Point260 °C at 760 mmHg
Density0.994 g/mL at 25 °C(lit.)
Flash Point>;230 °F
Appearance 天然品存在于葡萄、葡萄酒等中。 无色至淡黄色液体。呈水果、玫瑰香气，并具有蜂蜜似甜香味。沸点238℃，闪点≥100℃。几不溶于水，溶于乙醇。

别名和识别编码

Chemical NamePhenethyl Butyrate
MDL NumberMFCD00048718
CAS Number103-52-6
EC Number203-119-8
Synonym Phenethyl butyrate {LY} Phenethyl butyrate {} {LY} Phenethyl butyrate {} {} {LY} Phenethyl butyrate {} {} {} {LY} Phenethyl butyrate {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl butyrate
PubChem Substance ID7658
Chemical Name Translation丁酸苯乙酯
Wiswesser Line Notation3VO2R
Beilstein Registry Number1955788
LabNetwork Molecule IDLN00224010
InChIInChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
Canonical SMILESCCCC(OCCC1=CC=CC=C1)=O
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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, Kosher Certified Products, N-P, O-P, O-Z

安全信息

WGK Germany2
Personal Protective Equipment Eyeshields, Gloves
RTECSET5956200 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4600 uL/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: 17,889,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 mL/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: 17,889,1979

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JEENAI Journal of Economic Entomology.  (Entomological Soc. of America, 4603
   Calvert Rd., College Park, MD 20740)  V.1-    1908- Volume(issue)/page/year:
   48,139,1955

Storage condition

其他信息

  • MOL 文件:103-52-6.mol
  • 方法一:由苯乙醇和正丁酸酯化而成。
  • 毒性:GRAS(FEMA)。
  • 参考质量标准:FCC，1996 含量 ≥98.0% 折射率(n D 20 ) 1.487～1.492 相对密度(d 25 25 ) 0.991～0.995 醇中溶解度(OT-43) lml溶于lmL 95%乙醇 酸值(OT-4) ≤1
  • 用途一:GB 2760一96规定为允许使用的食用香料。主要用以配制草莓、树莓、桃子、苹果、菠萝、奶油和蜂蜜等型香精及葡萄酒香精。
  • 上游原料:苯乙醇 --> 丁酸
  • Sigma Aldrich:103-52-6(sigmaaldrich)
  • 图谱信息:丁酸苯乙酯(103-52-6)质谱(MS) 丁酸苯乙酯(103-52-6)红外图谱(IR2) 丁酸苯乙酯(103-52-6)红外图谱(IR1) 丁酸苯乙酯(103-52-6)Raman光谱 丁酸苯乙酯(103-52-6)核磁图( 1 HNMR) 丁酸苯乙酯(103-52-6)核磁图( 13 CNMR)
  • 含量分析:按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 使用限量:FEMA(mg/kg)：软饮料3.2；冷饮8.9；糖果13；焙烤食品13。 适度为限(FDA§172．515，2000)。
  • FEMA:2861
  • 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） 丁酸苯乙酯 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

系列性分类

  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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