4-Isopropyl-2-methylphenol

Base Information

• Chemical Name: 4-Isopropyl-2-methylphenol
• CAS No.: 1740-97-2
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• UNII: 41Y0OLM4LN
• DSSTox Substance ID: DTXSID80169745
• Nikkaji Number: J203.149C
• Wikidata: Q27258472
• Mol file: 1740-97-2.mol

Synonyms:4-Isopropyl-2-methylphenol;1740-97-2;4-Isopropyl-o-cresol;2-methyl-4-propan-2-ylphenol;Phenol, 2-methyl-4-(1-methylethyl)-;4-Isopropyl-2-methyl-phenol;EINECS 217-105-4;UNII-41Y0OLM4LN;41Y0OLM4LN;2-methyl-4-isopropylphenol;SCHEMBL1397101;DTXSID80169745;AMY16186;CS-B1162;GS2742;MFCD16997163;AKOS017516081;MB22526;2-METHYL-4-(PROPAN-2-YL)PHENOL;FT-0731833;F14410;Q27258472

Chemical Property of 4-Isopropyl-2-methylphenol

Chemical Property:

• Vapor Pressure: 0.0656mmHg at 25°C
• Melting Point: 8.6°C
• Refractive Index: 1.5253
• Boiling Point: 233.8°Cat760mmHg
• PKA: 10.59±0.18(Predicted)
• Flash Point: 104.1°C
• PSA: 20.23000
• Density: 0.974g/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:

97% ^*data from raw suppliers

4-Isopropyl-2-methylphenol 97% ^*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 4-Isopropyl-2-methylphenol

There total 24 articles about 4-Isopropyl-2-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: 32.0%

(1R,2R,4R,6S)-2-bromo-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one → 2-methyl-4-isopropylphenol (1740-97-2)

Guidance literature:

at 20 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tetlet.2021.153496

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:

1-isopropoxy-2-methyl-benzene (33426-60-7) → 2-methyl-4-isopropylphenol (1740-97-2)

Guidance literature:

With boron trifluoride; at 85 ℃;

DOI:10.1021/ja01344a047

upstream raw materials:

1-isopropoxy-2-methyl-benzene

2,2-bis(4-hydroxy-3-methylphenyl)propane

5-isopropyl-2-methoxytoluene

propene

Downstream raw materials:

2-hydroxy-5-isopropylbenzoic acid

4-isopropyl-2-methylcyclohexanol

5-isopropyl-2-methoxytoluene

2-hydroxy-5-isopropyl-3-methylbenzaldehyde