o-Tolylmethanol 邻甲基苯甲醇
CAS 89-95-2 MFCD00004622
化学结构图
SMILES: Cc1ccccc1CO
化学属性
| Mol. Formula | C8H10O |
|---|---|
| Mol. Weight | 122.16 |
| Refractive index | n20/D 1.5408(lit.) |
| Boiling Point | 218.4°C at 760 mmHg |
| Melting Point | 33-36 °C |
| Density | 1.422 |
| Flash Point | 104°(219°F) |
| TSCA | No |
| Vapor Pressure | 0.75 mmHg ( 86 °C) |
| Appearance | 白色结晶体，熔点 39℃，沸点 109-110℃，闪点 104℃ |
| Solubility | methanol: 0.1 g/mL, clear |
别名和识别编码
| Chemical Name | o-Tolylmethanol |
|---|---|
| CAS Number | 89-95-2 |
| PubChem Substance ID | 6994 |
| EC Number | 201-954-2 |
| Beilstein Registry Number | 1929783 |
| MDL Number | MFCD00004622 |
| Reaxys-RN | 1929783 |
| Synonym | 2-Methylbenzyl alcohol {LY} 2-Methylbenzyl alcohol 2-methylbenzyl alcohol 2-methylbenzyl alcohol, 3H-labeled ortho-methylbenzyl alcohol {} {LY} 2-Methylbenzyl alcohol {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylben |
| Chemical Name Translation | 邻甲基苯甲醇 |
| LabNetwork Molecule ID | LN00222606 |
| InChI | InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3 |
| Canonical SMILES | CC1=CC=CC=C1CO |
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分类
- {SNA} Alcohols, Building Blocks, C7 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
- Alcohols, Building Blocks, C7 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
相关文献及参考
- Beil. 6 ,IV,3109
- Aldrich MSDS 1 , 1212:D / Corp MSDS 1 (2), 2299:C / FT-IR 1 (1), 1126:C / FT-IR 2 (2), 1923:B / FT-NMR 1 (2), 339:B / IR-Spectra (3), 677:E / NMR-Reference 2 (1), 931:A / RegBook 1 (1), 1321:B / Structure Index 1 , 202:A:4 / Vapor Phase 3 , 1051:A
- 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
安全信息
GHS Symbol
- H302 Harmful if swallowed 吞食有害
- H318 Causes serious eye damage 严重伤害眼睛
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P264+P265
- 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
- P301+P317
- P305+P351+P338
- P305+P354+P338
- P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
- P317
- P330 Rinse mouth. 漱口
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- S22 Do not breathe dust 不要吸入粉尘；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- 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；
- 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；
- S37 Wear suitable gloves 戴适当手套；
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- S39 Wear eye/face protection 戴眼睛/面孔保护装置；
- R22 Harmful if swallowed 吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
其他信息
- MSDS 信息:2-Methylbenzyl alcohol(89-95-2).msds
- 下游产品:2-甲基-3-苯基苯甲醇
- 邻甲基苄醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0887 2-甲基苄醇 2-Methylbenzyl Alcohol 25G 349元 2010/05/25 A12696 2-甲基苯甲醇, 98% 2-Methylbenzyl alcohol, 98% 50g 760元 2010/05/25 A12696 2-甲基苯甲醇, 98% 2-Methylbenzyl alcohol, 98% 250g 3038元
- 蒸气压:0.75 mm Hg ( 86 °C)
- Sigma Aldrich:89-95-2(sigmaaldrich)
- 海关编码:29339990
- 图谱信息:邻甲基苄醇(89-95-2)红外图谱(IR1) 邻甲基苄醇(89-95-2)质谱(MS) 邻甲基苄醇(89-95-2)核磁图( 1 HNMR) 邻甲基苄醇(89-95-2)核磁图( 13 CNMR) 邻甲基苄醇(89-95-2)红外图谱(IR2) 邻甲基苄醇(89-95-2)Raman光谱 邻甲基苄醇(89-95-2)红外图谱(IR3)
- MOL 文件:89-95-2.mol
- Alfa Aesar:2-甲基苯甲醇,98% 2-Methylbenzyl alcohol, 98%(89-95-2)
- TCI Shanghai:2-甲基苄醇 2-Methylbenzyl Alcohol,>;97.0%(GC)(89-95-2)
- Acros Organics:2-甲基苄醇 2-Methylbenzyl alcohol, 98%(89-95-2)
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