Benzyl Isobutyrate 异丁酸苯甲酯

CAS 103-28-6 MFCD00048315

化学结构图

103-28-6
SMILES: CC(C)C(=O)OCc1ccccc1

化学属性

Mol. FormulaC11H14O2
Mol. Weight178.23
Density1.003 g/mL at 25 °C(lit.)
Refractive index1.4880 to 1.4920
Flash Point100°C(lit.)
TSCAYes
Boiling Point238 °C at 760 mmHg
Appearance 无色液体，具有像茉莉花香和水果香气。沸点229℃，闪点100℃。溶于乙醇和大多数非挥发性油，微溶于丙二醇，不溶于甘油。

别名和识别编码

Chemical NameBenzyl Isobutyrate
MDL NumberMFCD00048315
CAS Number103-28-6
Synonym Benzyl isobutyrate {LY} Benzyl isobutyrate {} {LY} Benzyl isobutyrate {} {} {LY} Benzyl isobutyrate {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl isobutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number203-095-9
Beilstein Registry Number1869299
PubChem Substance ID7646
Reaxys-RN1869299
Chemical Name Translation异丁酸苯甲酯
Wiswesser Line Notation1Y1&VO1R
LabNetwork Molecule IDLN00221027
InChIInChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
Canonical SMILESCC(C)C(=O)OCC1=CC=CC=C1
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分类

  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Kosher Certified Products
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products,

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.

安全信息

RTECSNQ4550000
GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R10 Flammable 易燃
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。
UN Number UN 3272 3/PG 3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2850 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: 11,1023,1973

Storage condition

其他信息

  • TCI Shanghai:异丁酸苯甲酯 Benzyl Isobutyrate,>;98.0%(GC)(103-28-6)
  • 上游原料:苄醇 --> 异丁酸 --> 丁醛
  • Sigma Aldrich:103-28-6(sigmaaldrich)
  • FEMA:2141
  • 图谱信息:异丁酸苄酯(103-28-6)红外图谱(IR1) 异丁酸苄酯(103-28-6)质谱(MS) 异丁酸苄酯(103-28-6)核磁图( 1 HNMR) 异丁酸苄酯(103-28-6)Raman光谱 异丁酸苄酯(103-28-6)核磁图( 13 CNMR)
  • 下游产品:异丁酸
  • 用途一:GB 2760--1996：允许使用的食用香料。主要用于调配蛇莓、草莓等型香精。
  • 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） 异丁酸苄酯 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
  • 方法一:由苯甲醇和异丁酸酯化而成。 由苯甲醇和丁醛在乙醇铅催化作用下而得。
  • 异丁酸苄酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L05930 异丁酸苄酯,98+% Benzyl isobutyrate, 98+% 50g 515元 2010/05/25 L05930 异丁酸苄酯,98+% Benzyl isobutyrate, 98+% 250g 2002元
  • MOL 文件:103-28-6.mol
  • Alfa Aesar:异丁酸苄酯,98+% Benzyl isobutyrate, 98+%(103-28-6)

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

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