Propan-2-Yl 2-Methylpropanoate 异丁酸异丙酯

CAS 617-50-5 MFCD00059365

化学结构图

617-50-5
SMILES: CC(C)OC(=O)C(C)C

化学属性

Mol. FormulaC7H14O2
Mol. Weight130.19
Refractive index1.3870 to 1.3890
Density0.869 g/mL at 25 °C(lit.)
Boiling Point120°C(lit.)
Flash Point20°C(lit.)
Appearance 无色至淡黄色液体，呈强烈水果香气。沸点121℃。易挥发。不溶于水，溶于大多数有机溶剂。

别名和识别编码

Chemical NamePropan-2-Yl 2-Methylpropanoate
Synonym 1-Methylethyl2-methylpropanoate {uni_hamburg} 异丁酸异丙酯 Isopropyl 2-methylpropanoate 2-methyl-propanoicaci1-methylethylester Isopropyl isobutanoate Isopropyl isobutyrate 1-Methylethyl 2-methylpropanoate Propanoicacid,2-methyl-,1-methylethylester isobutyric acid isopropyl ester FEMA 2937 C7H14O2 (isobutyric acid isopropyl ester) 2-methyl-propanoic acid 1-methylethyl ester ISOPROPYL ISOBUTYRATE ISOBUTYRIC ACID ISOPROPYL ESTER lsopropyl isobutyrate iso-C3H7C(O)OCH(CH3)2 1-甲基乙基-2-甲基丙酸酯 2-Methylpropionic acid isopropyl ester
MDL NumberMFCD00059365
CAS Number617-50-5
EC Number210-517-5
Reaxys-RN1744674
Beilstein Registry Number2(4)847
PubChem Substance ID87571508
Chemical Name Translation异丁酸异丙酯
LabNetwork Molecule IDLN01742748
InChIInChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
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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
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • 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
  • 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.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P370+P378
  • 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。
  • P403+P235
  • P241+P242+P243
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
Signal word Danger
RTECSNQ5320000
UN Number 2406
Packing GroupII
Hazard Class3
Hazard Codes F
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R11 Highly flammable 非常易燃
Warnings 危化品目录(2015) 危险化学品

其他信息

  • 毒性:可安全用于食品(FDA，§172．515，2000)。
  • 用途一:GB 2760一1996规定为允许使用的食品用香料。
  • 使用限量:FEMA(mg/kg)：软饮料12~25；冷饮18～25；糖果58~100；焙烤食品60~100。
  • FEMA:2937
  • 图谱信息:1-甲基乙基-2-甲基丙酸酯 (617-50-5)红外图谱(IR1) 1-甲基乙基-2-甲基丙酸酯 (617-50-5)质谱(MS) 1-甲基乙基-2-甲基丙酸酯 (617-50-5)核磁图( 1 HNMR) 1-甲基乙基-2-甲基丙酸酯 (617-50-5)红外图谱(IR2) 1-甲基乙基-2-甲基丙酸酯 (617-50-5)核磁图( 13 CNMR) 1-甲基乙基-2-甲基丙酸酯 (617-50-5)Raman光谱
  • 方法一:由异丁酰氯和异丙醇加热共沸而成。
  • 上游原料:异丙醇 --> 异丁酰氯
  • MOL 文件:617-50-5.mol
  • 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） 异丁酸异丙酯 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 异丁酸异丙酯 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
  • TCI Shanghai:异丁酸异丙酯 Isopropyl Isobutyrate,>;95.0%(GC)(617-50-5)
  • 参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥95.0% 折射率(n D 20 ) 1.394～1.399 相对密度(d 25 25 ) 0.845~0.850

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C6 to C7 - Esters

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