2-Methoxy-4-propylphenol

Base Information

• Chemical Name: 2-Methoxy-4-propylphenol
• CAS No.: 2785-87-7
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• Hs Code.: 3302900000
• European Community (EC) Number: 220-499-0
• NSC Number: 53043
• UNII: A3XE712277
• DSSTox Substance ID: DTXSID2047199
• Nikkaji Number: J15.754F
• Wikidata: Q27273589
• RXCUI: 2571991
• Metabolomics Workbench ID: 45283
• ChEMBL ID: CHEMBL3186884
• Mol file: 2785-87-7.mol

Synonyms:4-propylguaiacol

Chemical Property of 2-Methoxy-4-propylphenol

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 0.00624mmHg at 25°C
• Melting Point: 16°C
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 125-126 °C14 mm Hg(lit.)
• PKA: 10.04±0.18(Predicted)
• Flash Point: 113 ºC
• PSA: 29.46000
• Density: 1.038
• LogP: 2.35330
• Water Solubility.: 1.1g/L at 20℃
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-4-propylphenol ≥99%, FG ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 24-38
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC1=CC(=C(C=C1)O)OC
• Description: 2-Methoxy-4-propylphenol has a warm, spicy, sweet, and slightly floral balsamic odor. It may be prepared by catalytic reduction of eugenol with a palladium- or platinum-black catalyst.
• Uses: Potential applications include the profile enhancement of smoke flavors, clove, spicy nuances for cinnamon and pepper, vanilla, and fruit nuances.

Technology Process of 2-Methoxy-4-propylphenol

There total 123 articles about 2-Methoxy-4-propylphenol 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: 100.0%

4-allylguaiacol (97-53-0) → 2-methoxy-4-n-propylphenol (2785-87-7)

Guidance literature:

With hydrogen; In 2,2,4-trimethylpentane; at 180 ℃; for 0.166667h; under 7500.75 - 37503.8 Torr; Inert atmosphere;

DOI:10.1016/j.cattod.2012.08.015

Reference yield: 100.0%

(E)-2-methoxy-1-(phenylmethoxy)-4-(prop-1-en-1-yl)benzene (92666-21-2) → 2-methoxy-4-n-propylphenol (2785-87-7)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 24h; under 760.051 Torr; Reagent/catalyst; chemoselective reaction;

DOI:10.1016/j.tet.2015.03.086

Reference yield: 100.0%

2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-benzene (120-11-6) → 2-methoxy-4-n-propylphenol (2785-87-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; at 20 ℃; for 24h; Neat (no solvent);

DOI:10.1016/j.tet.2011.09.043

upstream raw materials:

dihydrosafrole

4-allylguaiacol

2-methoxy-4-propenylphenol

4-allyl-1-benzyloxy-2-methoxybenzene

Downstream raw materials:

2-methoxy-4-propylcyclohexane-1-ol

Diphenyl 2-methoxy-4-n-propylphenyl phosphate

1-(2,3-Dihydroxy-propoxy)-2-methoxy-4-propyl-benzol

2,2'-Dihydroxy-3,3'-dimethoxy-5,5'-dipropyl-diphenylmethan

Refernces

• 1、 Phillips,Goss. "". . p. 1518,1520. Retrieved 1932.
• 2、 Argyropoulos, Dimitris S,Jurasek, Lubo,Kristofova, Livia,Xia, Zhicheng,Sun, Yujun,Palus, Ernest. "Abundance and reactivity of dibenzodioxocins in softwood lignin.". . p. 658 - 666. Retrieved 2002.
• 3、 Kihara, Momoko,Takayama, Miyuki,Wariishi, Hiroyuki,Tanaka, Hiroo. "Determination of the carbonyl groups in native lignin utilizing Fourier transform Raman spectroscopy". . p. 2213 - 2221. Retrieved 2002.
• 4、 Campana, Filippo,Ferlin, Francesco,Silvetti, Matteo,Trombettoni, Valeria,Vaccaro, Luigi,Valentini, Federica. "POLITAG-Pd(0) catalyzed continuous flow hydrogenation of lignin-derived phenolic compounds using sodium formate as a safe H-source". . . Retrieved 2021/07/09.
• 5、 Ren, Tianyu,You, Shengping,Zhang, Zhaofeng,Wang, Yuefei,Qi, Wei,Su, Rongxin,He, Zhimin. "Highly selective reductive catalytic fractionation at atmospheric pressure without hydrogen". supporting information. p. 1648 - 1657. Retrieved 2021/03/09.