1-Phenylbutan-2-One 1-苯基-2-丁酮
CAS 1007-32-5 MFCD00009315
化学结构图
SMILES: CCC(=O)Cc1ccccc1
化学属性
| Mol. Formula | C10H12O |
|---|---|
| Mol. Weight | 148.21 g/mol |
| Refractive index | 1.5090 to 1.5130 |
| Boiling Point | 226°C(lit.) |
| Density | 0.998 g/mL at 25 °C(lit.) |
| Flash Point | 90°C(lit.) |
| Appearance | 无色液体。沸点230℃（100kPa），111℃（2.13kPa），相对密度1.002（0/4℃），折光率1.5122，闪点90℃。溶于乙醇、乙醚、丙酮，不溶于水。 |
别名和识别编码
| Chemical Name | 1-Phenylbutan-2-One |
|---|---|
| Synonym | 1-PHENYL-2-BUTANONE 1-PHENYL-2-BUTANONE 98% 1-Phenyl-1-butanone 1-Phenyl-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| CAS Number | 1007-32-5 |
| PubChem Substance ID | 87575085 |
| EC Number | 213-752-1 |
| Beilstein Registry Number | 7(2)843 |
| MDL Number | MFCD00009315 |
| Reaxys-RN | 1100022 |
| Chemical Name Translation | 1-苯基-2-丁酮 |
| LabNetwork Molecule ID | LN00241571 |
| InChI | InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| Canonical SMILES | CCC(CC1=CC=CC=C1)=O |
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分类
- {SNA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
- Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
相关文献及参考
- Beil. 7 ,IV,712
- Aldrich MSDS 1 , 1458:D / Corp MSDS 1 (2), 2765:B / FT-IR 2 (2), 2354:B / FT-IR 1 (2), 1:B / FT-NMR 1 (2), 789:B / IR-Spectra (3), 848:C / IR-Spectra (2), 742:C / NMR-Reference 2 (2), 2:D / RegBook 1 (1), 1615:C / Structure Index 1 , 252:B:1 / Vapor Phase 3 , 1221:B
- 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.
- Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
- 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
安全信息
GHS Symbol
- H227 Combustible liquid 可燃液体
- H302 Harmful if swallowed 吞食有害
- 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。
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- 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。
- P301+P312+P330
- P370+P378
- P403+P235
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- R22 Harmful if swallowed 吞咽有害
其他信息
- 用途一:用于有机合成。
- MOL 文件:1007-32-5.mol
- 上游原料:硝酸钍水合物
- Sigma Aldrich:1007-32-5(sigmaaldrich)
- TCI Shanghai:1-苯基-2-丁酮 1-Phenyl-2-butanone,>;95.0%(GC)(1007-32-5)
- 方法一:将苯乙酸与丙酸的混合物，在惰性气体保护下，通过装有氧化钍催化剂的反应管，反应产物经碱化、水洗、干燥，减压分馏得到苯基丁酮。
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