Isobutyl acetate 乙酸异丁酯
CAS 110-19-0 MFCD00008932
化学结构图
SMILES: CC(=O)OCC(C)C
化学属性
| Mol. Formula | CH3COOCH2CH(CH3)2 |
|---|---|
| Mol. Weight | 116 |
| Density | 0.867 |
| Autoignition Point | 793 °F |
| Refractive index | 1.3880 to 1.3920 |
| Vapor Density | >;4 (vs air) |
| Boiling Point | 117°C |
| Vapor Pressure | 15 mmHg ( 20 °C) |
| Melting Point | -99 |
| Flash Point | 21°C(lit.) |
| TSCA | Yes |
| Solubility | 微溶于水，可混溶于乙醇、乙醚。 |
别名和识别编码
| Chemical Name | Isobutyl acetate |
|---|---|
| CAS Number | 110-19-0 |
| EC Number | 203-745-1 |
| Beilstein Registry Number | 2(4)149 |
| MDL Number | MFCD00008932 |
| Synonym | Acetic acid isobutyl ester Isobutyl acetate Butyl iso acetate Ethanoic acid isobutyl ester 醋酸异丁酯,乙酸-2-甲基丙基酯;异丁基乙酸酯 2-Methyl-1-propyl acetate Acetic acid, 2-methylpropyl ester 2-Methylpropylacetat Acetate d'isobutyle Iso-butyl acetate Essigsäure-isobutylester 乙酸异丁酯 acetic acid 2-methylpropyl ester Isobutyl ethanoate 2-Methylpropyl acetate beta-Methylpropyl ethanoate Essigsäureisobutylester acetic acid 2-methyl-propyl ester Isobutylacetat |
| PubChem Substance ID | 8038 |
| Merck Number | 5130 |
| Chemical Name Translation | 乙酸异丁酯 |
| Reaxys-RN | 1741909 |
| InChIKey | GJRQTCIYDGXPES-UHFFFAOYSA-N |
| Wiswesser Line Notation | 1Y1&1OV1 |
| LabNetwork Molecule ID | LN00193474 |
| InChI | InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 |
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分类
- {uni_hamburg} no charge; ester; 1fragment
- {SA} Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chemical Class,
- {SNA} Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, E-L, Environmental Standards, Ester, Esters, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, G-L, I, Substance Classification, Volatiles/ Semivolatiles, Whiskey
- {SNA} Alphabetical Listings,
产品应用
- 有机溶剂、硝化纤维及漆的溶剂、萃取剂、脱水剂。用火棉胶、硝化纤维、清漆、人造革、医药、塑料以及香料工业中。
相关文献及参考
- Merck:14,5130 Beilstein:2(4)149
- Short: II/27B
- Merck:14,5130
- Short: III/38A
安全信息
GHS Symbol
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- 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
- 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。
- P332+P313
- 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。
- P337+P313
- P403+P233
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P303+P361+P353
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P370+P378
- P304+P340+P312
- P403+P235
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 8000 ppm/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >17400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,8,1974
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 13400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,8,1974
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rabbit
DOSE/DURATION : 4763 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(其他信息
- 有水果香味。易溶于乙醇、乙醚和烃类，溶于180份水，与醇. 醚及烃类等多种有机溶剂混溶.20℃时在水中溶解0.67%,水在其中溶解1.64%,有刺激性。
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