2-Sec-Butylphenol 2-仲丁基苯酚
CAS 89-72-5 MFCD00002225
化学结构图
SMILES: CCC(C)C1CCCCC1O
化学属性
| Mol. Formula | C10H14O |
|---|---|
| Mol. Weight | 150.22 |
| Refractive index | 1.5220 to 1.5250 |
| Boiling Point | 227.5°C at 760 mmHg |
| Density | 0.982 |
| Melting Point | 12 |
| Flash Point | 112.22°C |
| TSCA | Yes |
| Vapor Pressure | 0.03 mmHg ( 20 °C) |
| Solubility | 不溶. <0.1 G/100 ML AT 20 ºC |
别名和识别编码
| Chemical Name | 2-Sec-Butylphenol |
|---|---|
| CAS Number | 89-72-5 |
| PubChem Substance ID | 6984 |
| EC Number | 201-933-8 |
| Beilstein Registry Number | 1210026 |
| MDL Number | MFCD00002225 |
| Reaxys-RN | 1210026 |
| Synonym | (±)-2-sec-Butylphenol 1-(1-Methylpropyl)phenol 2-(1-Methylpropyl)phenol 2-(1-methylpropyl)-pheno 2-(2-Butyl)phenol 2-sec-Butylphenol 2-sec-butyl-phenol 2-sec.-Butyl-phenol 2-sec.-Butylphenol 2-SEC-BUTYLPHENOL 2-[(±)-sec-butyl]-phenol 2-sec-Butylphenol {Chemicalbook} 2-sec-Butylphenol,98% 2-sec.Butylfenol 2-sec.butylfenol(czech) 2-sek-Butylphenol 2-sek.-Butylphenol 2-sek.Butylphenol 2-仲丁基苯酚 2-特丁基苯酚 o-sec O-S-BUTYLPHENOL O-Sec-Butylphenol,~99% ORTHO-SEC-BUTYLPHENOL Phenol, o-sec-butyl- o-sec-Butylphenol 邻仲丁基苯酚 |
| Chemical Name Translation | 2-仲丁基苯酚 |
| Wiswesser Line Notation | QR BY2&1 |
| LabNetwork Molecule ID | LN00214335 |
| InChI | InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3 |
| Canonical SMILES | CCC(C)C1=CC=CC=C1O |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; racemate; 1fragment
- {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
- {SNA} B, Bioactive Small Molecules, Building Blocks, C9 to C20+, Cell Biology, Chemical Synthesis,
相关文献及参考
- Beil. 6 ,III,1852
- Aldrich MSDS 1 , 329:D / Corp MSDS 1 (1), 644:B / FT-IR 1 (1), 1070:B / FT-IR 2 (2), 1837:B / FT-NMR 1 (2), 244:C / IR-Spectra (2), 574:F / IR-Spectra (3), 644:F / NMR-Reference 2 (1), 868:B / RegBook 1 (1), 1265:F / Sax 6 , 596 / Structure Index 1 , 192:B:2 / Vapor Phase 3 , 1002:B
- Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
- Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
- Short: IV/8I Title: Densities of Phenols, Aldehydes, Ketones, Carboxylic Acids, Amines, Nitriles, and Nitrohydrocarbons Author: Frenkel, M.; Hong, X.; Dong, Q.; Yan, X.; Chirico, R.D. Editor: Frenkel, M.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8I Year: 2002 Keyword: Thermodynamics; Thermodynamik ISBN: 978-3-540-42883-1 ISBN: 3-540-42883-6 Internet Resource: DOI:10.1007/b76771 RefComment: XI, 4
安全信息
GHS Symbol
- H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
- H330 Fatal if inhaled 吸入致命
- H302+H312
- H302 Harmful if swallowed 吞食有害
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- 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。
- P284 Wear respiratory protection.? 佩戴呼吸保护装置。
- P303+P361+P353
- P303+P361+P353+P310+P363
- P304+P340+P310
- P305+P351+P338
- P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
- P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- 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
- R22 Harmful if swallowed 吞咽有害
- R34 Causes burns 会导致灼伤
- 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；
- S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
- S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
- 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；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 600 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,84,1986
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 60 mg/kg TOXIC EFFECTS : Behavioral - sleep REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 600 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,84,1986
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 63 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963-
其他信息
- Sigma Aldrich:89-72-5(sigmaaldrich)
- 刺激数据:皮肤-兔 500 毫克/24小时 重度; 眼睛-兔 0.05 毫克/24小时 重度
- 毒性分级:高毒
- 邻仲丁基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0732 2-仲丁基苯酚 2-sec-Butylphenol 500G 740元 2014/06/02 B0732 2-仲丁基苯酚 2-sec-Butylphenol 25G 156元 2010/06/21 107981000 邻仲丁基苯酚 2-sec-Butylphenol 98% 100 GR 250元
- 储运特性:库房通风低温干燥; 与碱类、氧化剂分开储运
- 图谱信息:邻仲丁基苯酚(89-72-5)红外图谱(IR2) 邻仲丁基苯酚(89-72-5)核磁图( 13 CNMR) 邻仲丁基苯酚(89-72-5)核磁图( 1 HNMR) 邻仲丁基苯酚(89-72-5)质谱(MS) 邻仲丁基苯酚(89-72-5)红外图谱(IR1)
- TCI Shanghai:2-仲丁基苯酚 2-sec-Butylphenol,>;97.0%(GC)(89-72-5)
- Acros Organics:2-仲丁基苯酚 2-sec-Butylphenol, 98%(89-72-5)
- Alfa Aesar:2-仲-丁基苯酚,98% 2-sec-Butylphenol, 98%(89-72-5)
- 可燃性危险特性:遇热, 明火易燃; 受热放出有毒辛辣刺激气体
- 下游产品:仲丁威
- 用途一:用作合成仲丁威的中间体
- 蒸气压:0.03 mm Hg ( 20 °C)
- 职业标准:TWA 30 毫克/立方米
- 类别:易燃液体
- 急性毒性:腹腔-小鼠 LD50: 63 毫克/公斤; 静脉-小鼠 LD50: 60 毫克/公斤
- MOL 文件:89-72-5.mol
- 灭火剂:二氧化碳、砂土、泡沫、干粉
- MSDS 信息:2-sec-Butylphenol(89-72-5).msds
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