Isobutyric Acid N-Propyl Ester 异丁酸丙酯

CAS 644-49-5 MFCD00053781

化学结构图

644-49-5
SMILES: CCCOC(=O)C(C)C

化学属性

Mol. FormulaC7H14O2
Mol. Weight130.19
Refractive index1.3940 to 1.3960
Boiling Point134°C(lit.)
Density0.863 g/mL at 25 °C(lit.)
Flash Point30°C(lit.)
Solubility微溶于水，溶于乙醇、丙酮，易溶于乙醚。

别名和识别编码

Chemical NameIsobutyric Acid N-Propyl Ester
Synonym N-PROPYL ISOBUTYRATE Propyl 2-methylpropanoate PROPYL ISOBUTYRATE C7H14O2 (isobutyric acid propyl ester) Isobutyric acid, propyl ester isobutyric acid propyl ester n-Propyl 2-methylpropanoate PROPYL ISOBUTYRATE >=97% 2-methyl-propanoicacipropylester 2-Methylpropionsäurepropylester isobutyricacidpropylester 2-methylpropanoic acid propyl ester Propylisobutyrat FEMA 2936 Propyl-2-methylpropanoat Propanoicacid,2-methyl-,propylester PROPYL 2-METHYLPROPANOATE 异丁酸丙酯 2-methylpropanoicacidpropylester N-Propyl-2 2-甲基丙酸丙酯 Propyl isobutyrate Propanoic acid, 2-methyl-, propyl ester
MDL NumberMFCD00053781
CAS Number644-49-5
PubChem Substance ID87571507
EC Number211-417-4
Chemical Name Translation异丁酸丙酯
Reaxys-RN1744675
Beilstein Registry Number2(4)847
LabNetwork Molecule IDLN00220265
InChIInChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products, O-P, O-Z
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products, N-P, O-P, O-Z
  • {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/15A Title: Diffusion in Gases, Liquids and Electrolytes: Gases in Gases, Liquids and their Mixtures Author: Winkelmann, J Editor: Lechner, Manfred Dieter Source: Landolt-Börnstein, New Series Volume: IV/15A Year: 2007 Keyword: binary mixture; diffusion; electrolyte; gas; liquid; quaternary mixture; self-diffusion; supercritical fluid system; ternary mixture; vapor ISBN: 978-3-540-62429-5 (print) ISBN: 978-3-540-49718-9 (online) Internet Resource: doi:10.1007/978-3-540-49718-9 RefComment: VIII, 409 p., Hardcover RefComment: Written for: Science and engineers in the fields of physics, chemistry, physical chemistry, and material sciences Abstract: Diffusion – defined as mass, amount, or particle transport process – is the most essential transport property besides viscosity and thermal conductivity. Diffusion is widely used in nature, technical and scientific applications, ranging from diffusion in all kinds of gases, liquids, solids, electrolytes and their mixtures. Due to the large amount of data, the volume LB IV/15 "Diffusion in Gases, Liquids, and Electrolytes" is divided into three subvolumes. Part A: Gases in Gases, Liquids and their Mixtures; Part B: Liquids in Liquids and Li

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
Safety Statements
Risk Statements
  • R10 Flammable 易燃
UN Number 3272
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+P242+P243
  • 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.....
Packing GroupIII
Hazard Class3
Hazard Codes
Warnings 危化品目录(2015) 危险化学品

其他信息

  • TCI Shanghai:异丁酸丙酯 Propyl Isobutyrate,>;97.0%(GC)(644-49-5)
  • FEMA:2936
  • MOL 文件:644-49-5.mol
  • Sigma Aldrich:644-49-5(sigmaaldrich)
  • 使用限量:FEMA(mg/kg)：软饮料6.8；冷饮4.8；糖果24；焙烤制品20.0。 FDA(§172．515，2000)：适度为限。
  • 参考质量标准:FAO/WHO，1997 含量(GT-10-4) ≥98.0% 折射率(n D 20 ) 1.395～1.396 相对密度(d 25 25 ) 0.860~0.864
  • 外观性质:无色液体, 有水果香味。
  • 图谱信息:2-甲基丙酸丙酯 (644-49-5)核磁图( 13 CNMR) 2-甲基丙酸丙酯 (644-49-5)Raman光谱 2-甲基丙酸丙酯 (644-49-5)核磁图( 1 HNMR) 2-甲基丙酸丙酯 (644-49-5)质谱(MS) 2-甲基丙酸丙酯 (644-49-5)红外图谱(IR2) 2-甲基丙酸丙酯 (644-49-5)红外图谱(IR1)
  • MSDS 信息:异丁酸正丙酯(644-49-5).msds
  • 毒性:GRAS(FEMA)。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. O-P - Alphabetical Listings

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