Propionic Acid Isobutyl Ester 丙酸异丁酯

CAS 540-42-1 MFCD00009307

化学结构图

540-42-1
SMILES: CCC(=O)OCC(C)C

化学属性

Mol. FormulaC7H14O2
Mol. Weight130
Refractive index1.3960 to 1.3980
Boiling Point66
Density0.869
Melting Point-71
Flash Point35°C(lit.)
TSCANo
Solubility不溶于水,易溶于醇、醚。

别名和识别编码

Chemical NamePropionic Acid Isobutyl Ester
CAS Number540-42-1
PubChem Substance ID10895
EC Number208-746-0
MDL NumberMFCD00009307
Reaxys-RN1745554
Merck Number5150
Beilstein Registry Number1745554
Synonym 2-METHYLPROPYL PROPIONATE 2-Methyl-1-propyl propanoate 2-Methyl-1-propyl propanoate; 2-Methyl-1-propyl propanoate 2-Methylpropyl propanoate 2-Methylpropyl propionate C7H14O2 (propionic acid isobutyl ester) FEMA 2212 ISOBUTYL PROPIONATE Isobu Isobutyl propionate Isobutylpropionat METHYL ISOBUTYL ACETATE Propanoic acid, 2-methylpropyl ester Propansäure-2-methylpropylester Propionic acid (2-methylpropyl) ester Propionic acid isobutyl Propionic acid isobutyl ester Propionic acid, isobutyl ester Propionsäure-2-methylpropylester Propionsäureisobutylester iso-Butyl n-propionate iso-Butylpropionat propionic acid isobutyl est
Chemical Name Translation丙酸异丁酯
Wiswesser Line Notation2VO1Y1&1
LabNetwork Molecule IDLN00194868
InChIInChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
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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, Certified Food Grade Products, Flavors and Fragrances, H-J, I-L, I-N, Kosher Certified Products
  • {SNA} Alphabetical Listings, Flavors and Fragrances, I-L, I-N,
  • {SNA} Alphabetical Listings, Certified Natural Products,

相关文献及参考

  • Arctander , 520 / FT-IR 2 (1), 955:D / FT-NMR 1 (1), 905:B / Fenaroli , 397 / RegBook 20 (1), 687:D / RegBook 1 (1), 687:D / Sax 6 , 1637 / Structure Index 1 , 103:D:8 / Vapor Phase 3 , 612:C
  • Beil. 2 ,241
  • Merck 14 ,5150
  • 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/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

安全信息

GHS Symbol
WGK Germany2
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
RTECSUF4930000
Signal word Warning
UN Number 2394 UN 2394 3/PG 3
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。
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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;
Packing GroupIII
Hazard Codes 3
Hazard Class3
Storage condition Flammables area
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5599 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IMSUAI Industrial Medicine and Surgery.  (Northbrook, IL)  V.18-42, 1949-73.
    For publisher information, see IOHSA5.  Volume(issue)/page/year: 41,31,1972

其他信息

  • 用途一:GB 2760一96规定为允许使用的食用香料。主要用以配制朗姆酒、草莓等水果型香精。
  • TCI Shanghai:丙酸异丁酯 Isobutyl Propionate,>;98.0%(GC)(540-42-1)
  • 毒性分级:低毒
  • MOL 文件:540-42-1.mol
  • Acros Organics:丙酸异丁酯 Isobutyl propionate, 98%(540-42-1)
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 丙酸异丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0506 丙酸异丁酯 Isobutyl Propionate 500ML 807元 2014/06/02 P0506 丙酸异丁酯 Isobutyl Propionate 25ML 131元 2010/06/21 310555000 丙酸异丁酯 Isobutyl propionate 98% 500 ML 1593元
  • MSDS 信息:丙酸异丁酯(540-42-1).msds
  • 参考质量标准:FAO/WHO,1997 含量 ≥95.0% 折射率(n D 20 ) 1.395-I.400 相对密度(d 25 25 ) 0.861-0.867
  • 类别:易燃液体
  • 上游原料:丙酸 --> 异丁醇
  • 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) 丙酸异丁酯 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
  • 方法一:由异丁醇和丙酸直接酯化而得。
  • 毒性:GRAS(FEMA)。
  • FEMA:2212
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • 使用限量:FEMA(mg/kg):软饮料5.4;冷饮4.2;糖果25;焙烤食品35。 适度为限(FDA§172.515,2000)。
  • Sigma Aldrich:540-42-1(sigmaaldrich)
  • 急性毒性:口服- 兔子 LD50: 5599 毫克/ 公斤
  • 图谱信息:丙酸异丁酯(540-42-1)红外图谱(IR1) 丙酸异丁酯(540-42-1)质谱(MS) 丙酸异丁酯(540-42-1)核磁图( 13 CNMR) 丙酸异丁酯(540-42-1)红外图谱(IR2) 丙酸异丁酯(540-42-1)Raman光谱 丙酸异丁酯(540-42-1)核磁图( 1 HNMR)
  • 外观性质:无色液体。

系列性分类


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