Propyl hexanoate 己酸丙酯

CAS 626-77-7 MFCD00053803

化学结构图

626-77-7
SMILES: CCCCCC(=O)OCCC

化学属性

Mol. FormulaC9H18O2
Mol. Weight158.24
Refractive index1.4100 to 1.4140
Boiling Point187 °C at 760 mmHg
Density0.876
Melting Point-69 °C
Flash Point52°C(lit.)
TSCAYes
Appearance 无色至淡黄色液体。呈菠萝和黑莓香气,有醚香。熔点-69℃,沸点187℃。溶于乙醇,不溶于水。

别名和识别编码

Chemical Namen-Propyl Hexanoate
Synonym Propyl hexanoate {LY} Propyl hexanoate {} {LY} Propyl hexanoate {} {} {LY} Propyl hexanoate {} {} {} {LY} Propyl hexanoate {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Propyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number626-77-7
MDL NumberMFCD00053803
PubChem Substance ID12293
EC Number210-963-0
Reaxys-RN1752238
Chemical Name Translation己酸丙酯
LabNetwork Molecule IDLN00224795
InChIInChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
Canonical SMILESCCCCCC(OCCC)=O
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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, Flav
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, N-P,
  • {SNA} Alphabetical Listings, Certified Natural Produ
  • {SNA} Alphabetical Listings, Certified Natural Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products, Kosher Certified Products, N-P, O - Z, O-P, O-Z
  • {uni_hamburg} no charge; ester; 1fragment

相关文献及参考

  • Short: EINECS Title: EINECS (Europ
  • 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

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Danger
Packing GroupIII
UN Number 3272
Risk Statements
  • R10 Flammable 易燃
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
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。
  • 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 Codes 3
Hazard Class3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 己酸丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 B25215 己酸正丙酯, 97% n-Propyl hexanoate, 98% 500g 6048元 2010/05/25 B25215 己酸正丙酯, 97% n-Propyl hexanoate, 98% 25g 435元 2010/05/25 B25215 己酸正丙酯, 97% n-Propyl hexanoate, 98% 100g 1526元
  • MOL 文件:626-77-7.mol
  • FEMA:2949
  • Sigma Aldrich:626-77-7(sigmaaldrich)
  • 用途一:GB 2760一1996规定为允许使用的食用香料。主要用以配制菠萝、罗甘莓等水果型香精。
  • 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) 己酸丙酯 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
  • Alfa Aesar:己酸正丙酯,97% n-Propyl hexanoate, 98%(626-77-7)
  • 方法一:由己酸和丙醇在对甲苯磺酸存在下于苯介质中酯化而成。
  • MSDS 信息:Caproic acid propyl ester(626-77-7).msds
  • 参考质量标准:FAO/WHO,1997 含量(GT-10-4) ≥95.0% 折射率(n D 20 ) 1.409~1.413 相对密度(d 25 25 ) 0.865~0.871
  • 上游原料:对甲苯磺酸 --> 己酸
  • 毒性:GRAS(FEMA)。

系列性分类


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