2-Isopropyl-4-methylphenol

Base Information

• Chemical Name: 2-Isopropyl-4-methylphenol
• CAS No.: 4427-56-9
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 2907199090
• European Community (EC) Number: 224-611-9
• NSC Number: 62110
• UNII: RIM60IN3PY
• DSSTox Substance ID: DTXSID2052104
• Nikkaji Number: J34.561J
• Metabolomics Workbench ID: 127841
• ChEMBL ID: CHEMBL2288299
• Mol file: 4427-56-9.mol

Synonyms:2-Isopropyl-4-methylphenol;4427-56-9;4-Methyl-2-isopropylphenol;2-Isopropyl-p-cresol;Phenol, 4-methyl-2-(1-methylethyl)-;m-Cymen-4-ol;4-methyl-2-propan-2-ylphenol;p-Cresol, 2-isopropyl-;1-Hydroxy-4-methyl-2-isopropylbenzene;2-isopropyl-4-methyl-phenol;Phenol, 2-isopropyl-4-methyl-;EINECS 224-611-9;UNII-RIM60IN3PY;NSC 62110;RIM60IN3PY;BRN 1860557;AI3-01514;MFCD00151522;NSC-62110;4-Methyl-2-isopropylphenol (Isothymol);SCHEMBL852892;2 - isopropyl - p - cresol;CHEMBL2288299;DTXSID2052104;NSC62110;AKOS006282268;CS-W006880;DS-5182;MB00760;SY114698;4-METHYL-2-(1-METHYLETHYL)PHENOL;LS-104758;FT-0635290;A20406;Q27288134

Chemical Property of 2-Isopropyl-4-methylphenol

Chemical Property:

• Vapor Pressure: 0.0486mmHg at 25°C
• Melting Point: 35°C
• Refractive Index: 1.523
• Boiling Point: 228.5 °C at 760mmHg
• PKA: 10.78±0.18(Predicted)
• Flash Point: 98.1 °C
• PSA: 20.23000
• Density: 0.974 g/cm³
• LogP: 2.82400
• XLogP3: 3.1
• 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:

99%, ^*data from raw suppliers

2-Isopropyl-4-methylphenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Isopropyl-4-methylphenol

There total 29 articles about 2-Isopropyl-4-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: 90.0%

p-cresol (106-44-5) + isopropyl alcohol (67-63-0,8013-70-5) → Isothymol (4427-56-9)

Guidance literature:

With sulfated zirconia; at 180 ℃; for 2h;

DOI:10.1080/00397910802139387

Reference yield: 82.0%

4-hydroxy-3-(1-methylethyl)benzaldehyde (126274-94-0) → Isothymol (4427-56-9)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol; at 210 ℃; for 1h;

DOI:10.1007/BF00809536

Reference yield: 17.0%

p-cresol (106-44-5) + di-isopropyl ether (108-20-3) → Isopropylbenzene (98-82-8) + Isothymol (4427-56-9)

Guidance literature:

With montmorillonite clay; sulfuric acid; at 180 ℃; for 3h;

DOI:10.1016/S0040-4020(00)00910-8

upstream raw materials:

p-cresol

propene

isopropyl chloride

di-isopropyl ether

Downstream raw materials:

2-bromo-4-methyl-6-(α,β,β,β'-tetrabromo-isopropyl)-phenol

(2-isopropyl-4-methyl-phenoxy)-acetic acid

Diethyl-(2-isopropyl-4-methyl-phenoxy)-silane

4-methyl-2-(1-methylethyl)phenyl propanoate

Refernces

• 1、 Keglevich, Gyoergy,Balint, Erika,Karsai, Eva,Varga, Judit,Gruen, Alajos,Balint, Maria,Greiner, Istvan. "Heterogeneous phase alkylation of phenols making use of phase transfer catalysis and microwave irradiation". experimental part. p. 535 - 539. Retrieved 2010/04/23.
• 2、 McPhail, Kerry L.,Rivett, Douglas E.A.,Lack, David E.,Davies-Coleman, Michael T.. "The structure and synthesis of tsitsikammafuran: A new furanosesquiterpene from a south african Dysidea sponge". . p. 9391 - 9396. Retrieved 2007/10/03.