1-(4-Isopropylphenyl)ethanone 4'-异丙基苯乙酮
CAS 645-13-6 MFCD00048297
化学结构图
SMILES: CC(=O)c1ccc(C(C)C)cc1
化学属性
| Mol. Formula | C11H14O |
|---|---|
| Mol. Weight | 162.23 |
| Refractive index | 1.5220 to 1.5240 |
| Density | 0.97 |
| TSCA | Yes |
| Boiling Point | 119-120 °C at 10 mmHg |
| Flash Point | 238°C |
| Melting Point | 254 °C |
别名和识别编码
| Chemical Name | 1-(4-Isopropylphenyl)ethanone |
|---|---|
| MDL Number | MFCD00048297 |
| CAS Number | 645-13-6 |
| Reaxys-RN | 2205694 |
| PubChem Substance ID | 12578 |
| EC Number | 211-433-1 |
| Beilstein Registry Number | 2205694 |
| Synonym | 1-(4-Isopropylphenyl)ethanone {LY} 1-(4-Isopropylphenyl)ethanone {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Isopropylphenyl)ethanone {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 4'-异丙基苯乙酮 |
| LabNetwork Molecule ID | LN00245001 |
| InChI | InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3 |
| Canonical SMILES | CC(C1=CC=C(C(C)C)C=C1)=O |
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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
- Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
- {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones,
相关文献及参考
- Short: II/5 Title: Molecular Acoustics Author: Schaaffs, W. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/5 Year: 1967 ISBN: 3-540-03897-3 ISBN: 978-3-540-03897-9 Internet Resource: DOI:10.1007/b19950 RefComment: 321 figs., XII, 286 pages, Hardcover
- Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains
安全信息
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R10 Flammable 易燃
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
- R22 Harmful if swallowed 吞咽有害
- R52 Harmful to aquatic organisms 对水生生物有害
GHS Symbol
- P273 Avoid release to the environment. 避免释放到环境中。
- 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。
- H302 Harmful if swallowed 吞食有害
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
其他信息
- 4'-异丙基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0570 4'-异丙基苯乙酮 4'-Isopropylacetophenone 25ML 602元 2010/06/21 381830050 4'-异丙基苯乙酮 4'-Isopropylacetophenone 96% 5 GR 426元 2010/06/21 381830250 4'-异丙基苯乙酮 4'-Isopropylacetophenone 96% 25 GR 1599元
- Hazard Note:Flammable/Irritant
- FEMA:2927
- 使用限量:FEMA(mg/kg)：饮料0.08；冷饮0.10；焙烤制品1.0；糖果0.50；腌渍制品5.0。适量为限(FDA，§172．515，2001)。
- 图谱信息:4'-异丙基苯乙酮(645-13-6)质谱(MS)
- MOL 文件:645-13-6.mol
- Acros Organics:4'-Isopropylacetophenone, 96%(645-13-6)
- TCI Shanghai:4'-异丙基苯乙酮 4'-Isopropylacetophenone,>;95.0%(GC)(645-13-6)
- Alfa Aesar:4-异丙基苯乙酮,98% 4'-Isopropylacetophenone, 98%(645-13-6)
- 参考质量标准:FAO/WHO，2001 含量(GT-10-4；各异构体之和) ≥98% 折射率(n D 20 ) 1.520～1.527 相对密度(d 25 25 ) 0.967~0.975
- 毒性:GRAS(FEMA)。
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