Benzyl Phenylacetate 苯乙酸苄酯

CAS 102-16-9 MFCD00022045

化学结构图

102-16-9
SMILES: O=C(Cc1ccccc1)OCc1ccccc1

化学属性

Mol. FormulaC15H14O2
Mol. Weight226.28 g/mol
Refractive index1.5550 to 1.5570
Boiling Point317-319
Density1.097
Flash Point184°C(lit.)
Appearance 无色液体,呈芳甜的茉莉香气,香味似蜂蜜。沸点317℃,闪点>100℃。混溶于乙醇、氯仿和乙醚。

别名和识别编码

Chemical NameBenzyl Phenylacetate
MDL NumberMFCD00022045
CAS Number102-16-9
Synonym Acetic acid, phenyl-, benzyl ester Benzeneaceticacid,phenylmethylester Benzyl 2-phenylacetate Benzyl Phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID60999
EC Number203-008-4
Reaxys-RN1912851
Chemical Name Translation苯乙酸苄酯
Beilstein Registry Number1912851
LabNetwork Molecule IDLN00224820
InChIInChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2
Canonical SMILESC1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2
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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料
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} A-F, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography,
  • {SNA} A-F, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards,
  • {SNA} A-F, Analytical Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, 分析/色谱, 按字母排序, 香精香料
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products
  • {SNA} A-B, A-D, Alphabetical Listings, Flavors and Fragrances,

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

GHS Symbol
WGK Germany2
Hazard statements
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
Personal Protective Equipment Eyeshields, Gloves
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
Signal word Warning
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Hazard Codes 9
Risk Statements
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R50/53
Packing GroupIII
UN Number 3082

其他信息

  • 方法一:由苄醇和苯乙酸酯化而成。
  • 图谱信息:苯乙酸苯甲酯 (102-16-9)核磁图( 13 CNMR) 苯乙酸苯甲酯 (102-16-9)Raman光谱 苯乙酸苯甲酯 (102-16-9)核磁图( 1 HNMR) 苯乙酸苯甲酯 (102-16-9)质谱(MS) 苯乙酸苯甲酯 (102-16-9)红外图谱(IR1)
  • 上游原料:苯乙酸酯
  • 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) 苯乙酸苄酯 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
  • MOL 文件:102-16-9.mol
  • Sigma Aldrich:102-16-9(sigmaaldrich)
  • 使用限量:FEMA(mg/kg);软饮料1.3;冷饮2.6;糖果6.6;焙烤食品4.3;裱花料5.0。 适度为限(FDA§172.515,2000).
  • FEMA:2149
  • 含量分析:按酯含量测定法(OT-6)中的方法一测定。所取试样量为1.5g。计算中的当量因子(e)取113.1。或按GT-10-4中非极性柱方法测定。
  • TCI Shanghai:苯乙酸苄酯 Benzyl Phenylacetate,>;98.0%(GC)(102-16-9)
  • 用途一:GB 2760--1996规定为允许使用的食用香料。主要用于配制蜂蜜、焦糖、奶油等型香精。
  • 参考质量标准:FCC,1996 含量 ≥98.0% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.553~1.558 相对密度(d 25 25 ) 1.095~1.099 醇中溶解度 lml溶于3mL 90%乙醇,澄明
  • 毒性:GRAS(FEMA)。

系列性分类


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