Phenoxyethyl Isobutyrate 异丁酸(2-苯氧乙基)酯

CAS 103-60-6 MFCD00027363

化学结构图

103-60-6
SMILES: CC(C)C(=O)OCCOc1ccccc1

化学属性

Mol. FormulaC12H16O3
Mol. Weight208.26
Density1.044 g/mL at 25 °C(lit.)
Refractive index1.4920 to 1.4960
Boiling Point125-127°C at 4 mmHg
Flash Point>110°C
Appearance 无色透明液体。呈水果和玫瑰香甜气，有蜂蜜似香味。混溶于乙醇、氯仿和乙醚，几不溶于水。

别名和识别编码

Chemical NamePhenoxyethyl Isobutyrate
CAS Number103-60-6
MDL NumberMFCD00027363
Synonym 2-Phenoxyethyl isobutyrate {LY} 2-Phenoxyethyl isobutyrate {} {LY} 2-Phenoxyethyl isobutyrate {} {} { {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenoxyethyl isobutyrate {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID61005
EC Number203-127-1
Reaxys-RN2215248
Beilstein Registry Number6(3)572
Chemical Name Translation异丁酸(2-苯氧乙基)酯
LabNetwork Molecule IDLN00222382
InChIInChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
Canonical SMILESCC(C)C(OCCOC1=CC=CC=C1)=O
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, O-P
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香

相关文献及参考

  • Beilstein:6(3)572

安全信息

RTECSUA2470910
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves 
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: 12,955,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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: 12,955,1974

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:103-60-6.mol
  • FEMA:2873
  • 方法一:由苯氧乙醇和异丁酸在硼酸存在下于苯溶液中酯化而成。
  • 用途一:GB 2760-1996规定为允许使用的香料。主要用以配制蜂蜜、桃子和水果冰淇淋等型香精。
  • Sigma Aldrich:103-60-6(sigmaaldrich)
  • 异丁酸苯氧乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1822 异丁酸2-苯氧基乙酯 2-Phenoxyethyl Isobutyrate 500G 604元 2014/06/02 P1822 异丁酸2-苯氧基乙酯 2-Phenoxyethyl Isobutyrate 25G 137元
  • 参考质量标准:FCC，1996 含量 ≥97.0% 折射率(n D 20 ) 1.492～1.495 相对密度(d 25 25 ) 1,044~1,048 醇中溶解度 lml溶于3mL 70%乙醇，澄明 酸值(OT-4) ≤1.0
  • 上游原料:异丁酸 --> 乙二醇苯醚
  • 含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为1.4g。计算中的当量因子(e)取104.1。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • TCI Shanghai:异丁酸(2-苯氧乙基)酯 2-Phenoxyethyl Isobutyrate,>;98.0%(GC)(103-60-6)
  • 使用限量:FEMA(mg/kg)：软饮料0.90～5.0；冷饮5.0～30；糖果15~30；焙烤食品15～30。 适度为限(FDA§172．515，2000)。
  • 毒性:GRAS(FEMA)。

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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