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2-甲基苯甲醇 | 89-95-2

2-甲基苯甲醇
2-Methylbenzyl alcohol
89-95-2
C8H10O
122.164402484894
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-甲基苯甲醇结构式
6994
2-甲基苯甲醇价格
名称和标识符
MDL MFCD00004622
InChIKey XPNGNIFUDRPBFJ-UHFFFAOYSA-N
Inchi 1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3
SMILES OCC1C(C)=CC=CC=1
BRN 1929783
别名信息
- 中文别名 -
  • 2-甲基苯甲醇
  • 邻甲基苄醇
  • 2-甲基苄醇
  • 2-(3-氟苯基)-5-(羟甲基)吡啶
  • 2-Methylbenzyl Alcohol 2-甲基苄醇
  • 邻甲基苯甲醇
- 英文别名 -
  • 2-Methylbenzyl alcohol
  • (2-methylphenyl)methanol
  • o-Methylbenzyl Alcohol
  • α-Hydroxy-o-xylene
  • alpha-Hydroxy-o-Xylene
  • o-tolylmethanol
  • o-Tolyl alcohol
  • Benzenemethanol, 2-methyl-
  • toluene-methanol
  • o-Tolyl carbinol
  • Benzyl alcohol, o-methyl-
  • 2-METHYLBENZENEMETHANOL
  • 7L3M6Y04NC
  • XPNGNIFUDRPBFJ-UHFFFAOYSA-N
  • Benzyl alcohol, o-methyl- (8CI)
  • Benzenemethanol, 2-methyl- (9CI)
  • (2-methylphenyl)methan-1-ol
  • o-tolyl-methanol
  • 2-Methylbenzylalcohol
  • bmse000515
  • 2-methylbenzylalkohol
  • AKOS000249529
  • AS-56613
  • M0887
  • InChI=1/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3
  • C07213
  • (2-Methylphenyl)methanol
  • NSC91
  • W-100353
  • (2-Methylphenyl)methanol #
  • CS-0152955
  • EINECS 201-954-2
  • MFCD00004622
  • FT-0613015
  • METHYLBENZYL ALCOHOL, O-
  • EN300-129586
  • SCHEMBL3338
  • A843387
  • AC7567
  • XPNGNIFUDRPBFJ-UHFFFAOYSA-
  • SY013626
  • Z335244790
  • 89-95-2
  • 2-Methylbenzyl alcohol, 98%
  • DTXSID8059001
  • Q27268494
  • UNII-7L3M6Y04NC
  • NSC 91
  • NSC-91
  • AI3-21536
  • o-Methylbenzyl alcohol
  • alpha-Hydroxy-o-xylene
  • ?2-Methylbenzyl alcohol
  • 2-Methylbenzenemethanol (ACI)
  • (2-Tolyl)methanol
  • 2-(Methyl)-1-(hydroxymethyl)benzene
  • o-Tolualcohol
  • o-Tolylmethanol
  • NS00039347
物化性质
实验特性
LogP 1.48730
PSA 20.23000
折射率 n20/D 1.5408(lit.)
沸点 219°C(lit.)
熔点 35.0 to 38.0 deg-C
蒸气压 0.75 mmHg ( 86 °C)
闪点 华氏:219.2 °F
摄氏:104 °C
溶解度 methanol: 0.1 g/mL, clear
密度 1.0230
计算特性
精确分子量 122.07300
氢键供体数量 1
氢键受体数量 1
可旋转化学键数量 1
同位素质量 122.073164938g/mol
重原子数量 9
复杂度 80.6
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.6
互变异构体数量
表面电荷 0
拓扑分子极性表面积 20.2
国际标准相关数据
EINECS 91
海关数据
海关编码 29339990
海关数据

中国海关编码:

2906299090

概述:

2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Chitosan derived efficient and stable Pd nano-catalyst for high efficiency hydrogenation
Zheng, Xingli; Li, Yan; Li, Wendian; Pei, Xianglin; Ye, Dongdong, International Journal of Biological Macromolecules, 2023, 241,

合成路线:1 步

反应条件:
参考文献:
Tuning selectivity among acetalization, pinacol coupling, and hydrogenation reactions of benzaldehyde by catalytic and photochemical pathways at room temperature
Yang, Qingning ; Li, Xiyi; Tang, Junwang, Materials Today Energy, 2022, 23,

合成路线:1 步

反应条件:
参考文献:
Organoborane-Catalyzed Hydrogenation of Unactivated Aldehydes with a Hantzsch Ester as a Synthetic NAD(P)H Analogue
Hamasaka, Go; Tsuji, Hiroaki; Uozumi, Yasuhiro, Synlett, 2015, 26(14), 2037-2041

合成路线:1 步

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参考文献:
Highly efficient protection of alcohols as trityl ethers under solvent-free conditions, and recovery catalyzed by reusable nanoporous MCM-41-SO3H
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合成路线:1 步

反应条件:
参考文献:
Selective reduction of carbonyl compounds with B-phenoxydiisopinocampheylborane: comparison of its reactivity to the cyclohexoxy derivative
Cha, Jin Soon; Nam, Ho Tae; Jang, Seung Ho; Kwon, Sang Young; Park, Seung Jin; et al, Bulletin of the Korean Chemical Society, 2004, 25(12), 1948-1950

合成路线:1 步

反应条件:
参考文献:
Molybdenum carbide, supercritical ethanol and base: Keys for unlocking renewable BTEX from lignin
Lui, Matthew Y.; et al, Applied Catalysis, 2023, 325,

合成路线:1 步

反应条件:
参考文献:
Selective reduction of carbonyl compounds with B-acetoxy- and B-trifluoroacetoxydiisopinocampheylboranes
Cha, Jin Soon; Nam, Ho Tae; Park, Seung Jin; Kwon, Sang Yong; Kwon, Oh Oun, Bulletin of the Korean Chemical Society, 2006, 27(5), 667-671

合成路线:1 步

反应条件:
参考文献:
Catalytic hydroboration of aldehydes and ketones with sodium hydride: Application to chemoselective reduction of aldehydes over ketones
Shin, Won Kyu; Kim, Hanbi; Jaladi, Ashok Kumar; An, Duk Keun, Tetrahedron, 2018, 74(43), 6310-6315

合成路线:1 步

反应条件:
参考文献:
General and Highly Efficient Iron-Catalyzed Hydrogenation of Aldehydes, Ketones, and α,β-Unsaturated Aldehydes
Fleischer, Steffen; Zhou, Shaolin; Junge, Kathrin; Beller, Matthias, Angewandte Chemie, 2013, 52(19), 5120-5124

合成路线:1 步

反应条件:
参考文献:
Preparation, characterization and use of 1,3-disulfonic acid imidazolium hydrogen sulfate as an efficient, halogen-free and reusable ionic liquid catalyst for the trimethylsilyl protection of hydroxyl groups and deprotection of the obtained trimethylsilanes
Shirini, Farhad; Khaligh, Nader Ghaffari; Akbari-Dadamahaleh, Somayeh, Journal of Molecular Catalysis A: Chemical, 2012, 365, 15-23

合成路线:1 步

反应条件:
参考文献:
A Mild and Efficient Flow Procedure for the Transfer Hydrogenation of Ketones and Aldehydes using Hydrous Zirconia
Battilocchio, Claudio; Hawkins, Joel M.; Ley, Steven V., Organic Letters, 2013, 15(9), 2278-2281

合成路线:1 步

反应条件:
参考文献:
Selective reduction of carbonyl compounds with B-trifluoromethane-sulfonyldiisopinocampheylborane in ethyl ether
Cha, Jin Soon, Bulletin of the Korean Chemical Society, 2009, 30(7), 1658-1660

合成路线:1 步

反应条件:
参考文献:
Microwave-Assisted Synthesis of Magnetic Carboxymethyl Cellulose-Embedded Ag-Fe3O4 Nanocatalysts for Selective Carbonyl Hydrogenation
Li, Alain You; Kaushik, Madhu; Li, Chao-Jun; Moores, Audrey, ACS Sustainable Chemistry & Engineering, 2016, 4(3), 965-973

合成路线:1 步

反应条件:
参考文献:
Selective reduction of carbonyl compounds with B-cyclohexyloxydiisopinocampheylborane
Cha, Jin Soon; Jang, Seung Ho; Kwon, Sang Young; Kwon, Oh Oun, Bulletin of the Korean Chemical Society, 2004, 25(5), 603-604

合成路线:1 步

反应条件:
参考文献:
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Ma, Xiaolei; et al, ACS Catalysis, 2015, 5(8), 4803-4813

合成路线:1 步

反应条件:
参考文献:
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Wang, Changxu; Wang, Shuai; Wu, Zhenshuai; Lv, Yipin; Chen, Guozhu; et al, Fuel, 2024, 357,

合成路线:1 步

反应条件:
参考文献:
Continuous-Flow Amide and Ester Reductions Using Neat Borane Dimethylsulfide Complex
Oetvoes, Sandor B.; Kappe, C. Oliver, ChemSusChem, 2020, 13(7), 1800-1807

合成路线:1 步

反应条件:
参考文献:
One-pot reductive amination of aldehydes catalyzed by a hydrio-iridium(III) complex in aqueous medium
Lai, Rung-Yi; Lee, Chun-I.; Liu, Shiuh-Tzung, Tetrahedron, 2008, 64(7), 1213-1217

合成路线:1 步

参考文献:
Transformation of o-toluate in Pseudomonas putida isolate 1065 and Rhizopus japonicus ATCC 24794
Engelhardt, Gabriele; Wallnoefer, P., Archiv fuer Mikrobiologie, 1973, 93(3), 229-37

合成路线:1 步

反应条件:
参考文献:
A Water/Toluene Biphasic Medium Improves Yields and Deuterium Incorporation into Alcohols in the Transfer Hydrogenation of Aldehydes
Ruiz-Castaneda, Margarita; Santos, Lucia; Manzano, Blanca R.; Espino, Gustavo; Jalon, Felix A., European Journal of Inorganic Chemistry, 2021, 2021(14), 1358-1372

合成路线:1 步

反应条件:
参考文献:
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Wang, Zhi; Huang, Lei; Geng, Longfei; Chen, Rizhi; Xing, Weihong; et al, Catalysis Letters, 2015, 145(4), 1008-1013

合成路线:1 步

反应条件:
参考文献:
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Zhao, Miao; Yu, Zhengkun; Yan, Shenggang; Li, Yang, Tetrahedron Letters, 2009, 50(32), 4624-4628
专业数据库参考
PubChemId 6994
参考资料
Reaxys RN 1929783
Beilstein 6(2)457
化合物详情(旧版)

SMILES

OCC1C(C)=CC=CC=1

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