Isopropyl Phenylacetate 苯乙酸异丙酯
CAS 4861-85-2 MFCD00051546
化学结构图
SMILES: CC(C)OC(=O)Cc1ccccc1
化学属性
| Mol. Formula | C11H14O2 |
|---|---|
| Mol. Weight | 178.23 |
| Density | 1.001 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.488(lit.) |
| Boiling Point | 157-165 °C/12 mmHg(lit.) |
| Flash Point | 107°(225°F) |
| TSCA | Yes |
别名和识别编码
| Chemical Name | Isopropyl Phenylacetate |
|---|---|
| Synonym | Benzeneacetic acid, 1-methylethyl ester Isopropyl 2-phenylacetate {uni_hamburg} Phenyl-acetic acid isopropyl ester Phenylacetic acid isopropyl ester isopropyl phenylacetate {} {uni_hamburg} Isopropylphenylacetat {} {} {uni_hamburg} Isopropyl-α-toluat 苯乙酸异丙酯 |
| MDL Number | MFCD00051546 |
| CAS Number | 4861-85-2 |
| PubChem Substance ID | 62553 |
| EC Number | 225-468-5 |
| Beilstein Registry Number | 1866839 |
| Chemical Name Translation | 苯乙酸异丙酯 |
| LabNetwork Molecule ID | LN02145201 |
| InChI | InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| Canonical SMILES | CC(C)OC(=O)CC1=CC=CC=C1 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
- {SNA} Alphabetical Listings, Flavors and Fragrances, I-L
相关文献及参考
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
- Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
