2-Methyl-4-propylphenol

Base Information

• Chemical Name: 2-Methyl-4-propylphenol
• CAS No.: 18441-56-0
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2907199090
• European Community (EC) Number: 242-320-5
• UNII: HQW38XP2JL
• DSSTox Substance ID: DTXSID50171572
• Nikkaji Number: J266.177B
• Wikidata: Q83041654
• Mol file: 18441-56-0.mol

Synonyms:2-Methyl-4-propylphenol;4-Propyl-o-cresol;18441-56-0;Phenol, 2-methyl-4-propyl-;o-Cresol, 4-propyl-;EINECS 242-320-5;2-methyl-4-propyl-phenol;HQW38XP2JL;SCHEMBL332894;DTXSID50171572

Chemical Property of 2-Methyl-4-propylphenol

Chemical Property:

• Vapor Pressure: 0.0231mmHg at 25°C
• Melting Point: 43°C
• Refractive Index: 1.5104 (estimate)
• Boiling Point: 241.5°Cat760mmHg
• Flash Point: 108.2°C
• PSA: 20.23000
• Density: 0.978g/cm³
• LogP: 2.65310
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C(C=C1)O)C

Technology Process of 2-Methyl-4-propylphenol

There total 6 articles about 2-Methyl-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: 51.0%

2-methoxy-4-n-propylphenol (2785-87-7) → 4-n-Propylphenol (645-56-7) + phenylpropane (103-65-1) + 2-methyl-4-propylphenol (18441-56-0) + 4-propyl-1,2-dimethoxybenzene (5888-52-8)

Guidance literature:

With hydrogen; In toluene; at 319.84 ℃; for 2h; under 22502.3 Torr; Reagent/catalyst;

DOI:10.1002/anie.201814284

Reference yield:

2-methoxy-4-n-propylphenol (2785-87-7) → 4-n-Propylphenol (645-56-7) + 2-methyl-4-propylphenol (18441-56-0) + 4-propyl-1,2-dimethoxybenzene (5888-52-8)

Guidance literature:

With hydrogen; In toluene; at 319.84 ℃; for 1h; under 22502.3 Torr; Reagent/catalyst;

DOI:10.1002/anie.201814284

Reference yield:

6-allyl-6-methyl-cyclohexa-2,4-dien-1-one (19689-33-9) → 2-methyl-4-propylphenol (18441-56-0)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol

2: H₂ / Pd-C / methanol

3: (i) NaNO₂, aq. H₂SO₄, (ii) H₂O

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1002/hlca.19710540402

upstream raw materials:

1-(4-hydroxy-3-methylphenyl)propan-1-one

6-allyl-6-methyl-cyclohexa-2,4-dien-1-one

C₁₇H₂₀N₂O₂S

2-methoxy-4-n-propylphenol

Downstream raw materials:

2-(2-Methyl-4-propyl-phenoxy)-propionic acid

phenyl-carbamic acid-(2-methyl-4-propyl-phenyl ester)

Refernces