Isopropyl hexanoate 己酸异丙酯

CAS 2311-46-8 MFCD00059436

化学结构图

2311-46-8
SMILES: CCCCCC(=O)OC(C)C

化学属性

Mol. FormulaC9H18O2
Mol. Weight158.24
Refractive index1.4060 to 1.4080
Flash Point54°C(lit.)
Appearance 天然品存在于草莓、蓝干酪等中。 无色液体。呈菠萝似甜的果香和新鲜浆果似甜味。沸点176℃或74℃(2666Pa)。几乎不溶于水，溶于乙醇。
Boiling Point168°C(lit.)
Density0.86

别名和识别编码

Chemical NameN-Caproic Acid Isopropyl Ester
Synonym isopropyl hexanoate hexanoicacid1-methylethylester Isoproyl hexanoate N-CAPROIC ACID ISOPROPYL ESTER Hexanoic acid, isopropyl ester hexanoic acid isopropyl ester Caproic acid isopropyl ester ISOPROPYL CAPROATE hexanoicacidisopropylester ISOPROPYL N-HEXANOATE n-C5H11C(O)OCH(CH3)2 1-Methylethylhexanoate FEMA 2950 Isopropyl haxanoate Isopropyl caproate N-HEXANOIC ACID ISOPROPYL ESTER ISOPROPYL HEXANOATE hexanoic acid 1-methylethyl ester Hexanoicacid,1-methylethylester 己酸-1-甲乙酯 1-Methylethyl hexanoate 己酸异丙酯
MDL NumberMFCD00059436
CAS Number2311-46-8
Reaxys-RN1752802
PubChem Substance ID16832
Chemical Name Translation己酸异丙酯
EC Number219-000-9
LabNetwork Molecule IDLN00221921
InChIInChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
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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

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/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.
  • 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 (Europ

安全信息

Packing GroupIII
UN Number 3272
Signal word
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P303+P361+P353
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class3
GHS Symbol

其他信息

  • 参考质量标准:FAO/WHO，2001 含量(GT-10-4) ≥99.0% 相对密度(d 20 20 ) 0.854~0.860 折射率(n D 20 ) 1.405
  • FEMA:2950
  • 方法一:由已酸和异丙醇在苯溶液中，在痕量H2SO4存在下经共沸蒸馏酯化而得。
  • MOL 文件:2311-46-8.mol
  • TCI Shanghai:己酸异丙酯 Isopropyl Hexanoate,>;98.0%(GC)(2311-46-8)
  • 图谱信息:己酸异丙酯(2311-46-8)红外图谱(IR1) 己酸异丙酯(2311-46-8)质谱(MS) 己酸异丙酯(2311-46-8)核磁图( 13 CNMR) 己酸异丙酯(2311-46-8)核磁图( 1 HNMR) 己酸异丙酯(2311-46-8)Raman光谱
  • 使用限量:FEMA(mg/kg)：无醇饮料0.50；冷饮5.5～10；糖果、焙烤制品20~40。 FDA，§172．515：适量为限。
  • 己酸异丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0841 己酸异丙酯 Isopropyl Hexanoate 500ML 1950元 2014/06/02 C0841 己酸异丙酯 Isopropyl Hexanoate 25ML 218元
  • 用途一:食品用香料。
  • 上游原料:异丙醇
  • 毒性:GRAS(FEMA)。

系列性分类

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