Hexyl propionate 丙酸己酯

CAS 2445-76-3 MFCD00085197

化学结构图

2445-76-3
SMILES: CCCCCCOC(=O)CC

化学属性

Mol. FormulaC9H18O2
Mol. Weight158.24
Refractive index1.4110 to 1.4150
Boiling Point73-74 °C at 10 mmHg
Density0.871
Flash Point65°C(lit.)
Appearance 丙酸己酯(2445-76-3)为无色或浅黄色液体,具有果香味。
Melting Point-57.5 °C

别名和识别编码

Chemical Name丙酸己酯
Synonym Hexyl propionate {LY} Hexyl propionate {} {LY} Hexyl propionate {} {} {LY} Hexyl propionate {} {} {} {LY} Hexyl propionate {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexyl propionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} H
CAS Number2445-76-3
MDL NumberMFCD00085197
PubChem Substance ID88454
EC Number219-495-1
Reaxys-RN1752269
Chemical Name Translation丙酸己酯
Beilstein Registry Number1752269
LabNetwork Molecule IDLN00194683
InChIInChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3
Canonical SMILESCCCCCCOC(=O)CC
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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} Alphabet
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E - H, E-H, Flavors and Fragrances, G-H, H-J, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products,

相关文献及参考

  • Short: II/5 Title: Molecular Acoustics Author: Schaaffs, W. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/5 Year: 1967 ISBN: 3-540-03897-3 ISBN: 978-3-540-03897-9 Internet Resource: DOI:10.1007/b19950 RefComment: 321 figs., XII, 286 pages, Hardcover
  • 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/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-Börns

安全信息

WGK Germany2
RTECSUA2462200
Signal word Warning
Hazard statements
  • H227 Combustible liquid 可燃液体
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。
  • 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。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
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:
   26,355,1988

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:
   26,355,1988

Storage condition

其他信息

  • 参考质量标准:FAO/WHO,1997 含量(GT-10-4) ≥97.0% 酸值(OT-4) ≤1.5 折射率(n D 20 ) 1.409~1.415 相对密度(d 25 25 ) 0.863~0.874
  • MSDS 信息:Hexyl propionate(2445-76-3).msds
  • 图谱信息:丙酸己酯(2445-76-3)核磁图( 13 CNMR) 丙酸己酯(2445-76-3)Raman光谱 丙酸己酯(2445-76-3)核磁图( 1 HNMR) 丙酸己酯(2445-76-3)质谱(MS) 丙酸己酯(2445-76-3)红外图谱(IR1)
  • 上游原料:正己醇
  • 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) 丙酸己酯 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
  • FEMA:2576
  • 毒性:GRAS(FEMA) LD 50 >5g/kg(大鼠,经口)。
  • 使用限量:FEMA(mg/kg):无醇饮料5.7;糖果21.0;焙烤制品22.0;冷饮23.0。 FDA,§172.515:适量为限。
  • 方法一:由正己醇与丙酸直接酯化而得。
  • MOL 文件:2445-76-3.mol
  • Sigma Aldrich:2445-76-3(sigmaaldrich)
  • 用途一:食品用香料。

系列性分类


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