4-Ethyl-2-methoxyphenol

Base Information

• Chemical Name: 4-Ethyl-2-methoxyphenol
• CAS No.: 2785-89-9
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 29071990
• European Community (EC) Number: 220-500-4
• NSC Number: 82313
• UNII: C9NFD83BJ5
• DSSTox Substance ID: DTXSID0047038
• Nikkaji Number: J141.497F
• Wikipedia: 4-Ethylguaiacol
• Wikidata: Q229953
• Metabolomics Workbench ID: 48876
• ChEMBL ID: CHEMBL3186900
• Mol file: 2785-89-9.mol

Synonyms:2-methoxy-4-ethylphenol;4-ethylguaiacol

Chemical Property of 4-Ethyl-2-methoxyphenol

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.0173mmHg at 25°C
• Melting Point: 15 °C(lit.)
• Refractive Index: n20/D 1.528(lit.)
• Boiling Point: 246.5 °C at 760 mmHg
• PKA: 10.31±0.18(Predicted)
• Flash Point: 107.8 °C
• PSA: 29.46000
• Density: 1.051 g/cm³
• LogP: 1.96320
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylguaiacol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)O)OC
• Uses: 4-Ethylguaiacol is used as smoke flavoring in the food industry and displays antioxidant activity due to its phenolic composition. It is also present in red grapes and in red wines. 4-Ethyl-2-methoxyphenol is used as smoke flavoring in the food industry and displays antioxidant activity due to its phenolic composition. It is also present in red grapes and in red wines.

Technology Process of 4-Ethyl-2-methoxyphenol

There total 69 articles about 4-Ethyl-2-methoxyphenol 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: 13.87%

lignin (9005-53-2) → 4-Ethylphenol (123-07-9) + 1,3-dimethoxy-2-hydroxy-benzene (91-10-1) + 2-methoxy-4-n-propylphenol (2785-87-7) + 4-n-propylsyringol (6766-82-1) + 4-Ethylguaiacol (2785-89-9) + 4-ethylsyringol (14059-92-8) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With hydrogen; at 305 ℃; for 0.75h; under 91809.2 Torr; Sealed tube;

Reference yield: 11.641%

lignin (9005-53-2) → 4-Ethylphenol (123-07-9) + 1,3-dimethoxy-2-hydroxy-benzene (91-10-1) + 4-n-propylsyringol (6766-82-1) + 4-Ethylguaiacol (2785-89-9) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With hydrogen; at 325 ℃; for 1.16667h; under 124887 Torr; Sealed tube;

Reference yield: 10.908%

lignin (9005-53-2) → 1,3-dimethoxy-2-hydroxy-benzene (91-10-1) + 2-methoxy-4-n-propylphenol (2785-87-7) + 4-n-propylsyringol (6766-82-1) + 4-Ethylguaiacol (2785-89-9) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With hydrogen; at 305 ℃; for 0.75h; under 91809.2 Torr; Sealed tube;

upstream raw materials:

4,4-(ethane-1,1-diyl)bis(2-methoxyphenol)

3-(4-hydroxy-3-methoxyphenyl)propionic acid

ethanol

2-methoxy-phenol

Downstream raw materials:

4-ethylcatechol

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

1-acetoxy-4-ethyl-2-methoxy-benzene

(4-ethyl-2-methoxy-phenoxy)-acetic acid

Refernces

• 1、 Pesci, Lorenzo,Baydar, Maik,Glueck, Silvia,Faber, Kurt,Liese, Andreas,Kara, Selin. "Development and scaling-up of the fragrance compound 4-ethylguaiacol synthesis via a two-step chemo-enzymatic reaction sequence". . p. 85 - 93. Retrieved 2017.
• 2、 Al-Naji, Majd,Antonietti, Markus,Brandi, Francesco. "Controlled lignosulfonate depolymerization: Via solvothermal fragmentation coupled with catalytic hydrogenolysis/hydrogenation in a continuous flow reactor". supporting information. p. 9894 - 9905. Retrieved 2021/12/24.
• 3、 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.