Isopropyl Butyrate 丁酸异丙酯
CAS 638-11-9 MFCD00009390
化学结构图
SMILES: CCCC(=O)OC(C)C
化学属性
| Mol. Formula | C7H14O2 |
|---|---|
| Mol. Weight | 130.19 |
| Refractive index | 1.3930 to 1.3950 |
| Boiling Point | 130°C(lit.) |
| Density | 0.859 g/mL at 25 °C(lit.) |
| Vapor Pressure | 6 mmHg ( 20 °C) |
| Flash Point | 29°C(lit.) |
| Solubility | 不溶于水，溶于乙醇、乙醚。 |
别名和识别编码
| Chemical Name | Isopropyl Butyrate |
|---|---|
| CAS Number | 638-11-9 |
| PubChem Substance ID | 87563761 |
| EC Number | 211-320-7 |
| MDL Number | MFCD00009390 |
| Reaxys-RN | 1745544 |
| Beilstein Registry Number | 2(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 ID | LN01740344 |
| InChI | InChI=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
- 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
- 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。
- 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；
- 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
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
