Ethyl 10-undecenoate 10-十一烯酸乙酯

CAS 692-86-4 MFCD00009220

化学结构图

692-86-4
SMILES: C=CCCCCCCCCC(=O)OCC

化学属性

Mol. FormulaC13H24O2
Mol. Weight212.33
Density0.879 g/mL at 25 °C(lit.)
Boiling Point258-259 °C at 761 mmHg
Refractive index1.4360 to 1.4400
Flash Point>;230 °F
Appearance 无色至淡黄色液体,呈脂香、果香、蜡香、霉香和葡萄酒香气。沸点258~259℃,相对密度(d )0.8788。不溶于水,溶于乙醇,微溶于丙二醇。 20
Melting Point-38 °C

别名和识别编码

Chemical NameEthyl 10-undecenoate
Synonym Ethyl 10-undecenoate {LY} Ethyl 10-undecenoate {} {LY} Ethyl 10-undecenoate {} {} {LY} Ethyl 10-undecenoate {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 10-undecenoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00009220
CAS Number692-86-4
PubChem Substance ID12729
EC Number211-734-8
Reaxys-RN1769949
Beilstein Registry Number2(4)1614
Chemical Name Translation10-十一烯酸乙酯
LabNetwork Molecule IDLN01309427
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3
Canonical SMILESC=CCCCCCCCCC(=O)OCC
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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
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-F, E-G, Flavors and Fragrances, Halal Certified Products
  • {SNA} Biochemicals and Reagents, Building Blocks,
  • {SNA} Biochemicals and Reagents, Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis,
  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Ethyl Ester, Fatty Acids and conjugates, Fatty Acyls, Organic Building Blocks, Unsaturated Fatty Acids and Derivatives, 生化试剂, 脂类

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.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.

安全信息

WGK Germany2
RTECSYQ2978400
Personal Protective Equipment Eyeshields, Gloves
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,687,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,687,1982

Storage condition

其他信息

  • 参考质量标准:FCC,1997;FAO WHO,1998 含量(OT-18) ≥98.0% 酸值(GT-4) ≤1.0 折射率(n D 25 ) 1.136~1.440 相对密度(d 25 25 ) 0.877~0.879
  • 使用限量:FEMA(mg/kg):软饮料1.7;冷饮8.7;糖果10;焙烤食品11;酒类5.0。 适度为限(FDA§172.515,2000)。
  • TCI Shanghai:10-十一烯酸乙酯 Ethyl 10-Undecenoate,>;97.0%(GC)(692-86-4)
  • 上游原料:10-十一烯酸 --> 蓖麻油酸 --> 蓖麻油酸乙酯(即12-羟基-9-十八碳烯酸乙酯)
  • 方法二:由十一烯酸与乙醇酯化而得。原料十一烯酸和乙醇在硫酸催化下直接酯化得粗十一烯酸乙酯,再经中和、水洗及减压分馏得成品。另一种生产方法是由甘油三蓖麻醇酸酯与乙醇进行酯交换,得到蓖麻油酸乙酯,然后在550-600℃下裂解。将裂解液减压分馏,收集150-220℃(2.67-8.0kPa)馏分,即为十一烯酸乙酯。
  • MOL 文件:692-86-4.mol
  • FEMA:2461
  • 用途二:主要用作脊椎造影剂碘苯酯的原料中间体。
  • 方法一:由十一烯酸与乙醇在盐酸存在下加热至70℃酯化后蒸馏而得。
  • Sigma Aldrich:692-86-4(sigmaaldrich)
  • 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) 10-十一烯酸乙酯 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
  • 用途一:GB 2760—96规定为允许使用的食用香料。主要用于配制坚果、果酒和椰子等型香精。
  • 下游产品:十一酸乙酯
  • 毒性:GRAS(FEMA)。

系列性分类


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