3238-38-8 (苯酚，2,3,4,6-四甲基-,Phenol,2,3,4,6-tetramethyl-)

快速询单

结构式：

苯酚，2,3,4,6-四甲基-MOL文件

CAS号：

3238-38-8

中文名称：

苯酚，2,3,4,6-四甲基-

英文名称：

Phenol,2,3,4,6-tetramethyl-

分子式：

C₁₀H₁₄O

分子量：

150.217563152313

苯酚，2,3,4,6-四甲基-(3238-38-8)名称与标识符

名称

英文别名：

Phenol,2,3,4,6-tetramethyl-;2,3,4,6-tetramethylphenol;(Isodurenol);2.3.4.6-Tetramethyl-phenol;4-Hydroxy-1.2.3.5-tetramethyl-benzol;Einecs 221-799-4;Phenol,2,3,4,6-tetramethyl;CHEMBL4287899;O8267G3UF3;Phenol, 2,3,4,6-tetramethyl-;Q27285458;UNII-O8267G3UF3;NS00029269;Isodurol;SCHEMBL394530;EN300-7691564;InChI=1/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H;WEJVHFVGNQBRGH-UHFFFAOYSA-N;isodurenol;3238-38-8;DTXSID5062926;AKOS006272177;

标识符

InChIKey：

WEJVHFVGNQBRGH-UHFFFAOYSA-N

Inchi：

1S/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H3

SMILES：

OC1=C(C)C=C(C)C(C)=C1C

苯酚，2,3,4,6-四甲基-(3238-38-8)物化性质

实验特性

LogP : 2.62580
PSA : 20.23000

计算特性

精确分子量 : 150.10400
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 150.104465066g/mol
重原子数量 : 11
复杂度 : 133
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） : 3
互变异构体数量 : 9
表面电荷 : 0
拓扑分子极性表面积 : 20.2Å²

苯酚，2,3,4,6-四甲基-(3238-38-8)海关数据

海关编码：

2907199090

海关数据：

中国海关编码：

2907199090

概述：

2907199090 其他一元酚. 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：

2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

苯酚，2,3,4,6-四甲基-(3238-38-8)合成路线

合成路线：1 步

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium , Chromium chloride (CrCl3) Solvents: Methanol ; 4 h, 2 MPa, 280 °C

参考文献：

Insight into the solvent, temperature and time effects on the hydrogenolysis of hydrolyzed lignin

Shu, Riyang; Zhang, Qi; Ma, Longlong; Xu, Ying; Chen, Pengru; et al, Bioresource Technology, 2016, 221, 568-575

合成路线：1 步

反应条件：

1.1 Catalysts: Sodium hydroxide Solvents: Methanol ; 7 h, 220 °C

参考文献：

Thermochemical lignin depolymerization and conversion to aromatics in subcritical methanol: effects of catalytic conditions

Singh, Sunit Kumar; et al, New Journal of Chemistry, 2016, 40(4), 3677-3685

合成路线：1 步

反应条件：

1.1 Reagents: Sodium hydroxide Catalysts: Molybdenum , Copper Solvents: Methanol , Water ; 7 h, 220 °C
1.2 Reagents: Water

参考文献：

Cu-Mo doped zeolite ZSM-5 catalyzed conversion of lignin to alkyl phenols with high selectivity

Singh, Sunit Kumar; et al, Catalysis Science & Technology, 2015, 5(4), 2117-2124

苯酚，2,3,4,6-四甲基-(3238-38-8)相关文献

1. Thermochemical lignin depolymerization and conversion to aromatics in subcritical methanol: effects of catalytic conditions
Sunit Kumar Singh,Kunal Nandeshwar,Jayant D. Ekhe New J. Chem. 2016 40 3677
2. 108. A method of nuclear methylation of phenolic substances
M. G. Barclay,A. Burawoy,G. H. Thomson J. Chem. Soc. 1944 400
3. Hydrogenolysis process for lignosulfonate depolymerization using synergistic catalysts of noble metal and metal chloride
Riyang Shu,Ying Xu,Longlong Ma,Qi Zhang,Tiejun Wang,Pengru Chen,Qingyun Wu RSC Adv. 2016 6 88788
4. Two-step etherification of phenolic-oil with methanol under catalysis of alumina-supported metal salts
Bo Yuan,Ze Wang,Wenli Song,Songgeng Li New J. Chem. 2019 43 8250
5. Upgrading of anisole using in situ generated hydrogen in pin to plate pulsed corona discharge
Hamed Taghvaei,Mohammad Reza Rahimpour RSC Adv. 2016 6 98369
6. Kinetics of the dienone–phenol rearrangement and basicity studies of some cyclohexa-2,5-dienones
Michael J. Hughes,Anthony J. Waring J. Chem. Soc. Perkin Trans. 2 1974 1043
7. CCXVII.—The nuclear alkylation of aromatic bases. Part I. The action of methyl alcohol on the hydrochlorides of o- and p-toluidine, mesidine, and dimethylmesidine
Donald Holroyde Hey J. Chem. Soc. 1931 1581
8. 6. The nuclear alkylation of aromatic bases. Part V. The action of methyl alcohol on m-toluidine hydrochloride
R. W. Cripps,D. H. Hey J. Chem. Soc. 1943 14
9. 134. Action of alkali and on bishydroxydurylmethane
A. Burawoy,J. T. Chamberlain J. Chem. Soc. 1949 626
10. Organic chemistry
J. Chem. Soc. Abstr. 1883 44 37