2,4-Dipropylphenol

Base Information

• Chemical Name: 2,4-Dipropylphenol
• CAS No.: 23167-99-9
• Molecular Formula: C12H18 O
• Molecular Weight: 178.274
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID40503984
• Nikkaji Number: J141.402J
• Wikidata: Q82358150
• Mol file: 23167-99-9.mol

Synonyms:2,4-DIPROPYLPHENOL;23167-99-9;SCHEMBL1021086;DTXSID40503984;FT-0733050

Chemical Property of 2,4-Dipropylphenol

Chemical Property:

• Refractive Index: 1.5091 (estimate)
• Boiling Point: 270.52°C (rough estimate)
• PSA: 20.23000
• Density: 0.9249 (rough estimate)
• LogP: 3.29720
• Water Solubility.: 25mg/L(25 oC)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 133

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dipropylphenol

There total 13 articles about 2,4-Dipropylphenol 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: 81.0%

1-(4-hydroxy-3-propyl-phenyl)-propan-1-one (194792-41-1) → 2,4-di-propylphenol (23167-99-9)

Guidance literature:

With hydrogenchloride; mercury dichloride; zinc; In ethanol; for 69h; Heating;

DOI:10.1016/S0968-0896(98)00093-5

Reference yield:

propan-1-ol (71-23-8) + propoxybenzene (622-85-5) → 5-propylphenol (644-35-9) + 2,6-di-n-propylphenol (6626-32-0) + 2,4-di-propylphenol (23167-99-9) + 2-(1-methylethyl)-6-propylphenol (74663-48-2) + n-Propyl 2-n-propylphenyl ether (74663-45-9) + 2,3,4,5,6-penta-n-propylphenol (74663-54-0)

Guidance literature:

Houdry HA-100 alumina; at 300 ℃; Product distribution; Mechanism;

DOI:10.1021/jo01310a012

Reference yield:

5-propylphenol (644-35-9) → 4-n-Propylphenol (645-56-7) + 2,6-di-n-propylphenol (6626-32-0) + 2,4-di-propylphenol (23167-99-9) + phenol (108-95-2,27073-41-2)

Guidance literature:

Houdry HA-100 alumina; In benzene; at 300 ℃; Product distribution; Mechanism;

DOI:10.1021/jo01310a013

upstream raw materials:

2-Hydroxy-3,5-dipropyl-benzoesaeure

N,N-dimethyl-aniline

propan-1-ol

4-n-Propylphenol

Downstream raw materials:

1-(2-hydroxy-3,5-dipropyl-phenyl)-propan-1-one

2-Aminomethyl-4,6-dipropyl-phenol; hydrochloride

5,7-dipropyl-2-(4'-benzyloxy-3'-methoxyphenyl)benzo[b]furan

5,7-dipropyl-2-(4'-hydroxy-3'-methoxyphenyl)benzo[b]furan