4’-Tert-Butylacetophenone 对叔丁基苯乙酮
CAS 943-27-1 MFCD00017256
化学结构图
SMILES: CC(=O)c1ccc(C(C)(C)C)cc1
化学属性
| Mol. Formula | C12H16O |
|---|---|
| Mol. Weight | 176 |
| Boiling Point | 107-108 |
| TSCA | T |
| Refractive index | n20/D 1.52(lit.) |
| Density | 0.964 |
| Melting Point | 17-18 |
| Flash Point | >100°(212°F) |
| Solubility | 不溶 |
| Appearance | 无色液体，能溶于醇、醚，微溶于水。熔点5°C。沸点107-108°C/665Pa。密度0.934。折光系数1.5200。 |
别名和识别编码
| Chemical Name | 4’-Tert-Butylacetophenone |
|---|---|
| CAS Number | 943-27-1 |
| Alfabeta Name | BUTYLACETOPHENONE TERT4--' |
| MDL Number | MFCD00017256 |
| Synonym | 1-(4-tert-butyl-phenyl)-ethanone 1-(4-tert-Butylphenyl)ethanone 1-(4-tertbutylpheny)ethanone 1-[4-(1,1-Dimethylethyl)phenyl]ethanone 1-[4-(1,1-dimethylethyl)phenyl]-Ethanone 1-[4-(1,1-dimethylethyl)phenyl]-ethanon 1-[4-(1,1-二甲基乙基)苯基]乙酮 1-[4-(tert-butyl)phenyl]ethan-1-one 1-[4-(TERT-BUTYL)PHENYL]ETHAN-1-ONE 1-[4-(tert-Butyl)phenyl]ethan-1-one 4'-tert-Butylacetophenone 4''-TERT-BUTYLACETOPHENONE 98% 4'-TERT-BUTYLACETOPHENONE 4'-t-Butylacetophenone 4'-tert-Butylacetophenone,98% 4'-叔丁基苯乙酮 4'-叔丁基苯乙酮, 98% 4'-特丁基苯乙烯 4-tert-Butylacetophenone 4-tert.-Butylacetophenon 4-TERT-BUTYLACETOPHENONE 4-TERT-BUTYLACETOPHENONE / 4-ISOBUTYL ACETOPHENONE 4-tert-Butylphenyl Methyl Ketone 4′-叔丁基苯乙酮 p-tert-Butylacetophenone p-tert-Butylacetylbenzene p-tert.-Butylacetophenon ASISCHEM D29255 Acetophenone, 4'-tert-butyl- Acetophenone, 4'-tert-butyl- Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]- Ethanone,1-[4-(1,1-dimethylethyl)phenyl]- NSC 826 P-T-BUTYLACETOPHENONE PHENOMUSCOL p-tert-Butylacetophenon p-tert-Butylacetophenone t-Butyl acetophenone 对叔丁基苯乙酮 |
| PubChem Substance ID | 13669 |
| EC Number | 213-399-3 |
| Beilstein Registry Number | 2384789 |
| Chemical Name Translation | 对叔丁基苯乙酮 |
| InChIKey | UYFJYGWNYQCHOB-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00119400 |
| InChI | InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3 |
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分类
- Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
- {SA} Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
产品应用
- 4-tert-Butylacetophenone is an impurity arising in the synthesis of Ebastine (E320000). Ebastine impurity B.
相关文献及参考
- Beil. 7 ,335
- FT-IR 2 (2), 2383:D / FT-NMR 1 (2), 886:B / RegBook 1 (2), 1667:K / Structure Index 1 , 263:C:7
- 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, sub
安全信息
Warnings
IRRITANT, FLAMMABLE
GHS Symbol
WGK Germany2
Hazard statements
- H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word
Safety Statements
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S29 Do not empty into drains 不要排入下水道；
- 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；
- S33 Take precautionary measures against static discharges 对静电采取预防措施；
Risk Statements
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- R10 Flammable 易燃
Precautionary statements
Hazard Codes
Xn
UN Number
Packing GroupIII
Hazard Class3.2
Storage condition
Flammables area
其他信息
- MOL 文件:943-27-1.mol
- 用途二:用于医药中间体，有机合成。
- Sigma Aldrich:943-27-1(sigmaaldrich)
- TSCA:T
- 用途一:用作医药中间体，也用于有机合成
- 下游产品:酮麝香
- MSDS 信息:1-[4-(tert-Butyl)phenyl]ethan-1-one(943-27-1).msds
- Acros Organics:4‘-叔丁基苯乙酮 4'-tert-Butylacetophenone, 98%(943-27-1)
- Alfa Aesar:4-叔丁基苯乙酮,98% 4'-tert-Butylacetophenone, 98%(943-27-1)
- 对叔丁基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 BTB09870DA 对叔丁基苯乙酮 1-[4-(tert-butyl)phenyl]ethan-1-one 1 GR 315元 2010/06/21 308740010 对叔丁基苯乙酮 4'-tert-Butylacetophenone 98% 1 GR 270元 2010/06/21 308740050 对叔丁基苯乙酮 4'-tert-Butylacetophenone 98% 5 GR 918元
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