Propyl benzoate 苯甲酸丙酯

CAS 2315-68-6 MFCD00009370

化学结构图

2315-68-6
SMILES: CCCOC(=O)C1CCCCC1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Density1.026
Boiling Point231.4°C at 760 mmHg
Refractive index1.4980 to 1.5030
Flash Point112°C(lit.)
Appearance )1.0274。不溶于水,溶于乙醇。 无色油状液体,呈坚果和香脂香气,有甜的水果和坚果似味道。熔点-51~-52℃,沸点230℃。相对密度(d 4 15
Melting Point-51 °C

别名和识别编码

Chemical NamePropyl Benzoate
Synonym Propyl benzoate {LY} Propyl benzoate {} {LY} Propyl benzoate {} {} {LY} Propyl benzoate {} {} {} {LY} Propyl benzoate {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00009370
CAS Number2315-68-6
PubChem Substance ID16846
EC Number219-020-8
Reaxys-RN1863771
Beilstein Registry Number1863771
Chemical Name Translation苯甲酸丙酯
LabNetwork Molecule IDLN00221054
InChIInChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
Canonical SMILESCCCOC(=O)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

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • 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 th

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements

其他信息

  • 使用限量:FEMA(mg/kg):软饮料11;糖果、焙烤食品33;冷饮44。
  • 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 ) 1.498~1. 503 相对密度(d 25 25 ) 1.020~1.026
  • Sigma Aldrich:2315-68-6(sigmaaldrich)
  • 用途一:GB 2760--1996规定为允许使用的食品用香料。
  • 毒性:作为香料可安全用于食品(FDA,§172.515,2000)。
  • 苯甲酸丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 B0076 苯甲酸丙酯 Propyl Benzoate 500ML 538元 2011/04/16 B0076 苯甲酸丙酯 Propyl Benzoate 25ML 172元
  • 方法一:由苯甲酸甲酯和丙醇在丙醇钠存在下进行酯交换而成。 由苯甲酰硫酸盐和丙醇在90~95℃下共热而成。
  • Acros Organics:苯甲酸丙酯 Propyl benzoate, 99%(2315-68-6)
  • FEMA:2931
  • MOL 文件:2315-68-6.mol
  • 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) 苯甲酸丙酯 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
  • 苯甲酸丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0076 苯甲酸丙酯 Propyl Benzoate 500ML 652元 2014/06/02 B0076 苯甲酸丙酯 Propyl Benzoate 25ML 209元
  • 图谱信息:苯甲酸丙酯(2315-68-6)红外图谱(IR1) 苯甲酸丙酯(2315-68-6)核磁图( 1 HNMR) 苯甲酸丙酯(2315-68-6)核磁图( 13 CNMR) 苯甲酸丙酯(2315-68-6)Raman光谱 苯甲酸丙酯(2315-68-6)质谱(MS)
  • 上游原料:苯甲酸甲酯
  • TCI Shanghai:苯甲酸丙酯 Propyl Benzoate,>;99.0%(GC)(2315-68-6)

系列性分类


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