2-Isopropyl-6-methylphenol

Base Information

• Chemical Name: 2-Isopropyl-6-methylphenol
• CAS No.: 3228-04-4
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 2907199090
• European Community (EC) Number: 858-179-3
• DSSTox Substance ID: DTXSID70186027
• Nikkaji Number: J37.617E
• Wikidata: Q83057211
• ChEMBL ID: CHEMBL281075
• Mol file: 3228-04-4.mol

Synonyms:2-ISOPROPYL-6-METHYLPHENOL;3228-04-4;2-methyl-6-propan-2-ylphenol;Phenol, 2-isopropyl-6-methyl-;2-methyl-6-(propan-2-yl)phenol;m-Cymen-2-ol;Phenol, 2-methyl-6-(1-methylethyl)-;BRN 1933783;NISTC3228044;6-Isopropyl-methylphenol;2-methyl-6-isopropylphenol;SCHEMBL99348;2-Isopropyl-6-methyl-phenol;CHEMBL281075;2-methyl-6-propan-2-yl-phenol;DTXSID70186027;2-Methyl-6-(1-methylethyl)phenol;MFCD00869994;AKOS015917381;MB01563;LS-104759;CS-0239166;FT-0655676;EN300-206930;3-06-00-01882 (Beilstein Handbook Reference);A821220

Chemical Property of 2-Isopropyl-6-methylphenol

Chemical Property:

• Vapor Pressure: 0.0575mmHg at 25°C
• Melting Point: -14.5°C
• Refractive Index: 1.523
• Boiling Point: 225.5 °C at 760 mmHg
• PKA: 10.83±0.10(Predicted)
• Flash Point: 95.6 °C
• PSA: 20.23000
• Density: 0.974 g/cm³
• LogP: 2.82400
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

2-ISOPROPYL-6-METHYLPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(C)C)O

Technology Process of 2-Isopropyl-6-methylphenol

There total 11 articles about 2-Isopropyl-6-methylphenol 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:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + ortho-cresol (95-48-7,77504-84-8) → carvacrol (499-75-2) + 2-methyl-4-isopropylphenol (1740-97-2) + 2-methyl-6-isopropyl phenol (3228-04-4)

Guidance literature:

at 250 - 350 ℃;

Reference yield:

2-(1-methylethyl)phenol (88-69-7) → 2-methyl-6-isopropyl phenol (3228-04-4)

Guidance literature:

Multi-step reaction with 3 steps

1: N-chlorosuccinimide (NCS) / CH₂Cl₂ / 0.5 h / -25 °C

2: triethylamine / CH₂Cl₂ / 4 h / Ambient temperature

3: W₂ Raney nickel / ethanol / 24 h / Heating

With N-chloro-succinimide; triethylamine; W₂ Raney nickel; In ethanol; dichloromethane;

DOI:10.1021/jm00186a013

Reference yield:

C11H17OS(1+)*Cl(1-) → 2-methyl-6-isopropyl phenol (3228-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / CH₂Cl₂ / 4 h / Ambient temperature

2: W₂ Raney nickel / ethanol / 24 h / Heating

With triethylamine; W₂ Raney nickel; In ethanol; dichloromethane;

DOI:10.1021/jm00186a013

upstream raw materials:

methanol

2-isopropyl-6-methyl-anisole

propene

ortho-cresol

Downstream raw materials:

2-isopropyl-6-methylcyclohexa-2,5-diene-1,4-dione

TiCl₂(OC₆H₃CH₃CH(CH₃)2)2

2-hydroxyl-3-isopropyl-6-methylbenzaldehyde

2-isopropyl-6-methylbenzene-1,4-diol