Isopropyl Benzoate 苯甲酸异丙酯

CAS 939-48-0 MFCD00048289

化学结构图

939-48-0
SMILES: CC(C)OC(=O)c1ccccc1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Boiling Point218 °C at 760 mmHg
Refractive index1.4930 to 1.4950
Flash Point99°C(lit.)
Solubility不溶于水，溶于醇、醚等。
Density1.01
Stability对湿度敏感
Melting Point-26 °C

别名和识别编码

Chemical NameIsopropyl Benzoate
CAS Number939-48-0
Alfabeta NameISOPROPYLBENZOATE
MDL NumberMFCD00048289
Synonym Isopropyl benzoate {LY} Isopropyl benzoate {} {LY} Isopropyl benzoate {} {} {LY} Isopropyl benzoate {} {} {} {LY} Isopropyl benzoate {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl benzoate {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation苯甲酸异丙酯
Reaxys-RN2044384
Beilstein Registry Number9(3)391
PubChem Substance ID13654
EC Number213-361-6
Wiswesser Line Notation1Y1&OVR
LabNetwork Molecule IDLN00110785
InChIInChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
Canonical SMILESO=C(OC(C)C)C1=CC=CC=C1
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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
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 高沸点溶剂。聚合抑制剂。制造香料。

相关文献及参考

  • Beilstein:9(3)391
  • Short: EINECS
  • Short: III/38B
  • Short: IV/20B

安全信息

RTECSDH3150000
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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。
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8° 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3730 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 20 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

WGK Germany3
GHS Symbol
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害

其他信息

  • 急性毒性:口服-大鼠 LD50: 3730 毫克/公斤
  • 图谱信息:安息香异丙醚(939-48-0)红外图谱(IR1) 安息香异丙醚(939-48-0)红外图谱(IR2) 安息香异丙醚(939-48-0)质谱(MS) 安息香异丙醚(939-48-0)Raman光谱 安息香异丙醚(939-48-0)核磁图( 13 CNMR)
  • 用途一:高沸点溶剂。聚合抑制剂。制造香料。
  • 灭火剂:干粉, 二氧化碳; 1211; 泡沫
  • 使用限量:FEMA(mg/kg)：饮料0.50；冷饮、糖果、焙烤制品，1.0。 适量为限(FDA，§172．515，2001)。
  • MSDS 信息:苯甲酸异丙酯(939-48-0).msds
  • 毒性分级:中毒
  • 安息香异丙醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0073 苯甲酸异丙酯 Isopropyl Benzoate 25ML 268元 2010/06/16 B0073 苯甲酸异丙酯 Isopropyl Benzoate 500ML 2830元
  • 类别:易燃液体
  • 参考质量标准:FAO/WHO，2001 含量(GT-10-4) ≥98% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.492～1.497 相对密度(d 25 25 ) 1.005～1.011
  • 外观性质:无色液体。
  • TCI Shanghai:苯甲酸异丙酯 Isopropyl Benzoate,>;99.0%(GC)(939-48-0)
  • 可燃性危险特性:易燃; 遇水, 乙醇分解产生有毒氯化物气体
  • 毒性:GRAS(FEMA)。
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运存放
  • MOL 文件:939-48-0.mol
  • 溶于、丙酮和乙醚，不溶于水。
  • FEMA:2932

系列性分类

  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
  6. C10 to C11 - Esters

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