p-Isoamylphenol

Base Information

• Chemical Name: p-Isoamylphenol
• CAS No.: 1805-61-4
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• European Community (EC) Number: 622-636-3
• NSC Number: 407861,65641
• UNII: UWR17GMV7T
• DSSTox Substance ID: DTXSID30170967
• Nikkaji Number: J539.756A
• Wikidata: Q27116058
• Mol file: 1805-61-4.mol

Synonyms:p-Isoamylphenol;4-Isopentylphenol;1805-61-4;4-(3-methylbutyl)phenol;Isoamylphenol;Phenol, 4-(3-methylbutyl)-;UNII-UWR17GMV7T;UWR17GMV7T;NSC 65641;NSC-65641;NSC 407861;NSC-407861;AI3-22910;p-isopentylphenol;4-iso-Pentylphenol;4(3-Methylbutyl)phenol;L-Histidinoldihydrochloride;NCIOpen2_000273;C(CC(C)C)c1ccc(O)cc1;PHENOL, P-ISOPENTYL-;SCHEMBL104626;CHEBI:34428;DTXSID30170967;NSC65641;NSC407861;AKOS006273185;Q27116058

Chemical Property of p-Isoamylphenol

Chemical Property:

• Vapor Pressure: 0.00909mmHg at 25°C
• Melting Point: 29°C
• Refractive Index: 1.5050
• Boiling Point: 257.3°Cat760mmHg
• Flash Point: 125.5°C
• PSA: 20.23000
• Density: 0.962g/cm³
• LogP: 2.98080
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCC1=CC=C(C=C1)O

Technology Process of p-Isoamylphenol

There total 17 articles about p-Isoamylphenol 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: 89.0%

2,6-di-tert-butyl-4-isopentylphenol (15017-97-7) → p-isoamylphenol (1805-61-4)

Guidance literature:

With aluminum (III) chloride; toluene; In nitromethane; at 60 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1055/s-0035-1561439

Reference yield:

orthoformic acid tris-(4-isopentyl-phenyl ester) + hydrogen iodide (10034-85-2) → iodoform (75-47-8) + p-isoamylphenol (1805-61-4)

Guidance literature:

at 110 ℃;

Reference yield:

2-Isopentyl-4-methyl-phenol (23446-58-4) + phenol (108-95-2,27073-41-2) → p-cresol (106-44-5) + p-isoamylphenol (1805-61-4)

Guidance literature:

cation-exchangers KU-23; protonic acid; at 129.9 ℃; Equilibrium constant; diff. temp.;

upstream raw materials:

(3-methylbutyl)benzene

4-(3-methylbut-2-en-1-yl)phenol

1-methoxy-4-(3-methylbutyl)benzene

(+/-)-4-Hydroxy-1-<1-hydroxy-isopentyl>-benzol

Downstream raw materials:

2,6-Bis-hydroxymethyl-4-isopentyl-phenol

2-hydroxy-5-isopentyl-benzaldehyde

chloro-acetic acid-(4-isopentyl-phenyl ester)

(4-isopentyl-phenyl)-(tetra-O-acetyl-β-D-glucopyranoside)

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