p-(1-Methylheptyl)phenol

Base Information

• Chemical Name: p-(1-Methylheptyl)phenol
• CAS No.: 1818-08-2
• Molecular Formula: C14H22 O
• Molecular Weight: 206.328
• Hs Code.: 2907199090
• European Community (EC) Number: 248-330-6,217-332-9,248-759-9
• DSSTox Substance ID: DTXSID90939471
• Nikkaji Number: J199.635E
• Mol file: 1818-08-2.mol

Synonyms:p-(1-Methylheptyl)phenol;4-octan-2-ylphenol;p-sec-Octylphenol;1818-08-2;(1-Methylheptyl)phenol;Phenol, (1-methylheptyl)-;27214-47-7;EINECS 217-332-9;EINECS 248-330-6;27985-70-2;4-(octan-2-yl)phenol;EINECS 248-759-9;p-s-octylphenol;Phenol, 4-sec-octyl-;4-(1-Methylheptyl)phenol;Phenol,4-sec-octyl-(9ci);Phenol, 4(1-methylheptyl)-;SCHEMBL4410688;DTXSID90939471

Chemical Property of p-(1-Methylheptyl)phenol

Chemical Property:

• Vapor Pressure: 0.000636mmHg at 25°C
• Boiling Point: 300.3°Cat760mmHg
• Flash Point: 152.2°C
• PSA: 20.23000
• Density: 0.935g/cm³
• LogP: 4.46610
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-(1-Methylheptyl)phenol

There total 16 articles about p-(1-Methylheptyl)phenol 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%

2-(4-Methoxy-phenyl)-octan (3307-20-8) → 4-(2-octyl)phenol (1818-08-2)

Guidance literature:

With trimethylsilyl iodide; at 105 - 114 ℃; for 0.25h; Microwave irradiation; Inert atmosphere;

DOI:10.3184/030823409X431328

Reference yield: 31.8%

n-octyne (629-05-0) + phenol (108-95-2,27073-41-2) → 2-(1-Methylheptyl)phenol (18626-98-7) + 2,2-bis(4'-hydroxyphenyl)-octane (6052-90-0) + 4-(2-octyl)phenol (1818-08-2) + 4-methyl-2,4-dihexyl-4H-chromene (115264-45-4) + 2-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)octane (115264-43-2) + 4-methyl-2,4-dihexyl-2-(2-hydroxyphenyl)chroman (115264-44-3)

Guidance literature:

With aluminium(III) phenoxide; at 130 ℃; for 8h; Product distribution; var. ratios of reagents, oth. temperature, oth. time, presence of solvent, pressure 1-1.5 MPa_.;

Reference yield: 18.0%

2-chlorooctane (628-61-5) + phenol (108-95-2,27073-41-2) → 2-(1-Methylheptyl)phenol (18626-98-7) + 4-(3-octyl)phenol (3307-00-4) + 2-(3-octyl)phenol (17404-44-3) + 4-(2-octyl)phenol (1818-08-2) + (1-ethylhexyl)oxybenzene (20012-44-6) + 2-octyl phenyl ether (20012-43-5)

Guidance literature:

With aluminium(III) phenoxide; at 150 - 160 ℃; for 1h; Product distribution; Mechanism; other organic chlorides, var. temp. and time;

upstream raw materials:

oct-1-ene

phenol

2-methylheptanal

2-(4-Methoxy-phenyl)-octan

Downstream raw materials:

4-(3-octyl)phenol

4-n-(α-Methyl)heptyl-2,6-dinitrophenol

Refernces

• 1、 Sato, Nobuhiro,Endo, Hiroyuki. "Methylation of phenolic hydroxyl group and demethylation of anisoles". experimental part. p. 229 - 230. Retrieved 2009/12/03.
• 2、 Nesterova, T. N.,Pimerzin, A. A.,Rozhnov, A. M.,Karlina, T. N.. "Equilibria for the isomerization of (secondary-alkyl)phenols and cyclohexylphenols". . p. 385 - 396. Retrieved 2007/10/02.