Isopropyl Butyrate 丁酸异丙酯

CAS 638-11-9 MFCD00009390

化学结构图

638-11-9
SMILES: CCCC(=O)OC(C)C

化学属性

Mol. FormulaC7H14O2
Mol. Weight130.19
Refractive index1.3930 to 1.3950
Boiling Point130°C(lit.)
Density0.859 g/mL at 25 °C(lit.)
Vapor Pressure6 mmHg ( 20 °C)
Flash Point29°C(lit.)
Solubility不溶于水,溶于乙醇、乙醚。

别名和识别编码

Chemical NameIsopropyl Butyrate
CAS Number638-11-9
PubChem Substance ID87563761
EC Number211-320-7
MDL NumberMFCD00009390
Reaxys-RN1745544
Beilstein Registry Number2(4)789
Synonym n-C3H7C(O)OCH(CH3)2 {uni_hamburg} ISOPROPYL BUTYRATE Butyric acid isopropyl 1-Methylethyl butanoate TOLUENE-4-SULFONIC ACID Butansäure-1-methylethyl-ester 正丁酸异丙酯 Isopropylbutyrat FEMA 2935 N-BUTYRIC ACID ISOPROPYL ESTER 99+% 丁酸異丙酯 Butanoic acid, 1-methylethyl ester ISOPROPYL N-BUTYRATE isopropylbutanoate,2-propylbutanoate BUTYRIC ACID ISOPROPYL ESTER Isopropyl butyrate N-BUTYRIC ACID ISOPROPYL ESTER Isopropyl butanoate 丁酸异丙酯 PROPYL ISO, BUTYRATE Buttersäureisopropylester ISOPROPYL BUTYRATE 98+% 酪酸異丙酯 Butanoic acid isopropyl butanoicacid,1-methylethylester {Chemic
Chemical Name Translation丁酸异丙酯
LabNetwork Molecule IDLN01740344
InChIInChI=1S/C7H14O2/c1-4-5-7(8)9-6(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} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters,

相关文献及参考

  • Beil. 2 ,271
  • Arctander , 2678 / Corp MSDS 1 (1), 2033:C / FT-IR 2 (1), 957:D / FT-NMR 1 (1), 908:B / Fenaroli , 412 / RegBook 78 (1), 687:I / RegBook 1 (1), 687:I / Structure Index 1 , 104:C:1 / Vapor Phase 3 , 614:C
  • 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/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
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xi
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P403+P235
  • P241+P242+P243
  • P233 Keep container tightly closed. ?保持容器密闭。
Signal word Warning {} {} {} {} {} {} {} {} {TCI}
UN Number 2405 UN 2405 3/PG 3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Packing GroupIII
Hazard Class3
Warnings 危化品目录(2015) 危险化学品

其他信息

  • 毒性:GRAS(FEMA)。
  • 方法一:由丁酸和丙烯在浓硫酸存在下,于125℃在封闭管中合成而得。也可由丁酸和异丙醇在HCl或对甲苯磺酸存在下反应而得。
  • FEMA:2935
  • 上游原料:对甲苯磺酸
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运
  • MSDS 信息:正丁酸异丙酯(638-11-9).msds
  • 蒸气压:6 mm Hg ( 20 °C)
  • TCI Shanghai:丁酸异丙酯 Isopropyl Butyrate,>;99.0%(GC)(638-11-9)
  • 用途一:食品用香料。
  • 丁酸异丙基酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0762 丁酸异丙酯 Isopropyl Butyrate 500ML 1070元 2014/06/02 B0762 丁酸异丙酯 Isopropyl Butyrate 25ML 163元
  • 类别:易燃液体
  • Sigma Aldrich:638-11-9(sigmaaldrich)
  • MOL 文件:638-11-9.mol
  • 图谱信息:丁酸异丙基酯(638-11-9)核磁图( 1 HNMR) 丁酸异丙基酯(638-11-9)核磁图( 13 CNMR) 丁酸异丙基酯(638-11-9)红外图谱(IR1) 丁酸异丙基酯(638-11-9)Raman光谱 丁酸异丙基酯(638-11-9)质谱(MS) 丁酸异丙基酯(638-11-9)红外图谱(IR2)
  • 外观性质:无色液体。
  • 灭火剂:干粉, 二氧化碳, 砂土, 泡沫
  • 使用限量:FEMA(mg/kg):无醇饮料9.7;冷饮21.0;糖果39;焙烤制品39。 FDA,§172.515:适量为限。
  • 参考质量标准:FAO/WHO,1998 含量(GT-10-4) ≥98.0% 酸值(OT-4) ≤2.0 折射率(n D 20 ) 1.390~1.396 相对密度(d 20 20 ) 0.863~0.869
  • 可燃性危险特性:易燃; 火场排放辛辣刺激烟雾
  • 爆炸物危险特性:蒸气与空气混合可爆

系列性分类


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