p-Tolyl Benzoate 苯甲酸对甲苯酯
CAS 614-34-6 MFCD00025982
化学结构图
SMILES: Cc1ccc(OC(=O)c2ccccc2)cc1
化学属性
| Mol. Formula | C6H5CO2C6H4CH3 |
|---|---|
| Mol. Weight | 212.24 |
| Melting Point | 70-72 °C(lit.) |
别名和识别编码
| Chemical Name | p-Tolyl Benzoate |
|---|---|
| Synonym | p-methylphenyl benzoate 苯甲酸-4-甲基苯酯 4-Cresyl benzoate 4-Methylphenyl benzoate {uni_hamburg} p-Cresyl benzoate p-Tolyl benzoate 4-methylphenyl benzoate Benzoic acid, 4-methylphenyl ester 苯甲酸对甲苯 p-Cresol benzoate benzoic acid p-tolyl ester Benzoic acid, p-tolyl ester p-tolyl benzoate |
| MDL Number | MFCD00025982 |
| CAS Number | 614-34-6 |
| PubChem Substance ID | 11962 |
| EC Number | 210-380-1 |
| Chemical Name Translation | 苯甲酸对甲苯酯 |
| InChIKey | LLRZUDIHEZXFGV-UHFFFAOYSA-N |
| Beilstein Registry Number | 1873141 |
| LabNetwork Molecule ID | LN01079802 |
| InChI | InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3 |
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分类
- {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
相关文献及参考
- 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 the nucleus 77Se. More nuclei will be presented later.
- Short: LC Title: LiqCryst 4.6 - Database of Liquid Crystals Author: Vill, V. Year: 2005 Keyword: Flüssigkristalle; LCD; Phasenumwandlung Internet Resource: http://liqcryst.chemie.uni-hamburg.de/
- Short: EINECS Title: EINECS
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2644 mg/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair REFERENCE : FAVUAI Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. (Izdatel'stvo Naukova Dumka, Kiev, USSR) No.1- 1966- Volume(issue)/page/year: 18,69,1986
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,833,1983
