2,6-DIMETHOXY-4-METHYLPHENOL

Base Information

• Chemical Name: 2,6-DIMETHOXY-4-METHYLPHENOL
• CAS No.: 6638-05-7
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• Hs Code.: 29095000
• European Community (EC) Number: 229-641-6
• NSC Number: 47901
• UNII: FJJ5MYE75W
• DSSTox Substance ID: DTXSID10216599
• Nikkaji Number: J27.322H
• Wikidata: Q27278026
• Metabolomics Workbench ID: 43979
• ChEMBL ID: CHEMBL205268
• Mol file: 6638-05-7.mol

Synonyms:p-Cresol,2,6-dimethoxy- (6CI,7CI,8CI);1-Methyl-3,5-dimethoxy-4-hydroxybenzene;2,6-Dimethoxy-4-cresol;2,6-Dimethoxy-4-methylphenol;2,6-Dimethoxy-p-cresol;3,5-Dimethoxy-4-hydroxytoluene;4-Hydroxy-3,5-dimethoxytoluene;4-Methyl-2,6-dimethoxyphenol;4-Methylsyringol;Methylsyringol;NSC 47901;

Chemical Property of 2,6-DIMETHOXY-4-METHYLPHENOL

Chemical Property:

• Appearance/Colour: brown crystalline mass
• Vapor Pressure: 0.00469mmHg at 25°C
• Melting Point: 37-42 °C (lit.)
• Refractive Index: 1.52
• Boiling Point: 268.3 °C at 760 mmHg
• PKA: 10.29±0.23(Predicted)
• Flash Point: 116.1 °C
• PSA: 38.69000
• Density: 1.105 g/cm³
• LogP: 1.71780
• Storage Temp.: 0-10°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methylsyringol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)OC)O)OC
• Uses: Used as a flavor and fragrance agents.

Technology Process of 2,6-DIMETHOXY-4-METHYLPHENOL

There total 33 articles about 2,6-DIMETHOXY-4-METHYLPHENOL which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

3,5-dibromo-4-hydroxytoluene (2432-14-6) + sodium methylate (124-41-4) → 2,6-dimethoxy-4-methylphenol (6638-05-7)

Guidance literature:

With methanol; Methyl formate; copper(l) chloride; at 115 ℃; for 2h; Autoclave; Green chemistry;

DOI:10.1007/s11164-014-1917-x

Reference yield: 85.0%

syringic aldehyde (134-96-3) → 2,6-dimethoxy-4-methylphenol (6638-05-7)

Guidance literature:

With hydrogen; In methanol; at 160 ℃; for 4h; under 15001.5 Torr; Autoclave; Green chemistry;

DOI:10.1039/c9gc01116a

Reference yield: 61.0%

syringic alcohol (530-56-3) → 2,6-dimethoxy-4-methylphenol (6638-05-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; chlorobenzene; for 2h; Heating;

DOI:10.1016/S0040-4039(98)01803-6

upstream raw materials:

syringic aldehyde

Eudesmic acid

methanol

3-methoxy-5-methyl-[1,2]benzoquinone

Downstream raw materials:

4-(4,4'-dihydroxy-3,5,3',5'-tetramethoxy-benzhydrylidene)-2,6-dimethoxy-cyclohexa-2,5-dienone

4-benzoyloxy-3,5-dimethoxy-toluene

3,4,5-trimethoxytoluene

2,6-dimethoxy-p-quinone

Refernces

• 1、 Wang, Bowei,Gao, Ruixiao,Zhang, Dan,Zeng, Yuyao,Zhang, Fangying,Yan, Xilong,Li, Yang,Chen, Ligong. "Ceria-promoted Co@NC catalyst for biofuel upgrade: synergy between ceria and cobalt species". supporting information. p. 8541 - 8553. Retrieved 2021/04/12.
• 2、 Chen, Yuzhuo,Chen, Zhirong,Gong, Yutong,Mao, Shanjun,Ning, Honghui,Wang, Yong,Wang, Zhenzhen. "Selective upgrading of biomass-derived benzylic ketones by (formic acid)–Pd/HPC–NH2 system with high efficiency under ambient conditions". . p. 3069 - 3084. Retrieved 2021/11/16.