Amyl Octanoate 辛酸戊酯

CAS 638-25-5 MFCD00048919

化学结构图

638-25-5
SMILES: CCCCCCCC(=O)OCCCCC

化学属性

Mol. FormulaCH3(CH2)6CO2(CH2)4CH3
Mol. Weight214
Density0.86 g/mL at 25 °C(lit.)
Refractive index1.4270 to 1.4290
Boiling Point260°C(lit.)
Flash Point>;230 °F
Appearance 无色液体。呈鲜花、鸢尾和水果香气。沸点260℃。溶于乙醇和大多数非挥发性油,微溶于丙二醇,不溶于甘油和水。

别名和识别编码

Chemical NameAmyl Octanoate
Synonym {uni_hamburg} Octanoic acid, pentyl ester N-AMYL CAPRYLATE N-OCTANOIC ACID N-AMYL ESTER N-AMYL OCTANOATE octanoicacidpentylester N-CAPRYLIC ACID N-AMYL ESTER Octanoicacid,pentylester PENTYL N-OCTANOATE Amyl octoate AMYL OCTANOATE 98+% FCC MIXTURE OF & 辛酸戊酯 Pentyl octanoate AMYL OCTANOATE N-AMYL OCTANOATE 98+% FCC FEMA 2079 octanoic acid pentyl ester Amyl n-Octanoate N-AMYL N-OCTANOATE Pentyloctanoate n-Pentyl octanoate n-Pentyl caprylate n-Octanoic Acid Amyl Ester AMYL CAPRYLATE
MDL NumberMFCD00048919
CAS Number638-25-5
PubChem Substance ID87574045
EC Number211-328-0
Reaxys-RN1767749
Beilstein Registry Number2(3)794
Chemical Name Translation辛酸戊酯
LabNetwork Molecule IDLN00223231
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • {SNA} A-B, Alphabetical Listings, Flavors and Fragrances

相关文献及参考

  • 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/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
  • Short: IV/8H Title: Densities of Esters and Ethers Author: Frenkel, M.; Hong, X.; Wilhoit, R.C.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8H Year: 2001 Keyword: organic compounds; density; liquids ISBN: 3-540-41035-X ISBN: 978-3-540-41035-5 Internet Resource: DOI:10.1007/b76770 RefComment: XI, 484 pages, with CD-ROM, Hardcover
  • 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

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)

其他信息

  • 方法一:由辛酸与正戊醇在苯溶液中以对甲苯磺酸为催化剂直接酯化而成。
  • 参考质量标准:FCC,1997;FAO/WHO,1997 含量(正辛酸2-甲基丁酯和正辛酸3-甲基丁酯异构体之和) ≥98.0% 折射率(n D 20 ) 1.425~1.429 相对密度(d 25 25 ) 0.855~0.861 酸值(OT-4) ≤1.0 醇中溶解度lml溶于7mL 80%乙醇,稀释至10ml仍澄明
  • 图谱信息:辛酸戊酯(638-25-5)红外图谱(IR1) 辛酸戊酯(638-25-5)核磁图( 13 CNMR) 辛酸戊酯(638-25-5)核磁图( 1 HNMR) 辛酸戊酯(638-25-5)质谱(MS) 辛酸戊酯(638-25-5)Raman光谱
  • 上游原料:对甲苯磺酸 --> 1-戊醇 --> 辛酸
  • TCI Shanghai:辛酸戊酯 Amyl n-Octanoate,>;98.0%(GC)(638-25-5)
  • 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) 辛酸戊酯 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
  • 使用限量:FEMA(mg/kg):软饮料5.0;冷饮3.5;糖果6.0;焙烤食品3.5;布丁类2.1。 适度为限(FDA§172.515,2000)。
  • Sigma Aldrich:638-25-5(sigmaaldrich)
  • FEMA:2079
  • 辛酸戊酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 O0028 正辛酸戊酯 Amyl n-Octanoate 500ML 1160元 2014/06/02 O0028 正辛酸戊酯 Amyl n-Octanoate 25ML 157元
  • 含量分析:按酯测定法(OT-18)中的方法一测定。试样量取1.3g,计算中的当量因子(e)取107.2。或按GT-10-4中非极性柱方法测定。
  • 用途一:香料。主要用于配制苹果和混合型水果香精。
  • MOL 文件:638-25-5.mol
  • 毒性:GRAS(FEMA)。

系列性分类


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