4-Isopropyl-3-methylphenol

Base Information

• Chemical Name: 4-Isopropyl-3-methylphenol
• CAS No.: 3228-02-2
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 29071990
• European Community (EC) Number: 221-761-7
• NSC Number: 62111
• UNII: H41B6Q1I9L
• DSSTox Substance ID: DTXSID10186026
• Nikkaji Number: J30.641J
• Wikidata: Q27116059
• RXCUI: 1364387
• Mol file: 3228-02-2.mol

Synonyms:o-cymen-5-ol

Chemical Property of 4-Isopropyl-3-methylphenol

Chemical Property:

• Appearance/Colour: White needle crystal
• Vapor Pressure: 1.81Pa at 25℃
• Melting Point: 111-114 °C(lit.)
• Refractive Index: 1.5115 (estimate)
• Boiling Point: 233.8 °C at 760 mmHg
• PKA: 10.36±0.18(Predicted)
• Flash Point: 104.1 °C
• PSA: 20.23000
• Density: 0.974 g/cm³
• LogP: 2.82400
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• Water Solubility.: 210mg/L at 20℃
• 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:

≥99%, ^*data from raw suppliers

4-Isopropyl-3-methylphenol >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)C(C)C
• Uses: Isopropylmethylphenol is a useful reagent for the cross-coupling reactions.

Technology Process of 4-Isopropyl-3-methylphenol

There total 60 articles about 4-Isopropyl-3-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:

3-methyl-phenol (108-39-4) + isopropyl alcohol (67-63-0,8013-70-5) → 3-Methyl-4-isopropylphenol (3228-02-2) + thymol (89-83-8) + 3-methyl-2-isopropyl-phenol (3228-01-1) + 1-isopropoxy-3-methylbenzene (19177-04-9)

Guidance literature:

With CT-151-DR resin; In neat (no solvent); at 179.84 ℃; for 0.0833333h; Time; chemoselective reaction; Microwave irradiation;

DOI:10.3998/ark.5550190.p009.943

Reference yield:

3-methyl-phenol (108-39-4) + isopropyl alcohol (67-63-0,8013-70-5) → 3-Methyl-4-isopropylphenol (3228-02-2) + 3-methyl-2-isopropyl-phenol (3228-01-1) + 3-isopropyl-5-methylphenol (3228-03-3) + 1-isopropoxy-3-methylbenzene (19177-04-9)

Guidance literature:

With Nafion SAC-13; In various solvent(s); Further byproducts given. Title compound not separated from byproducts;

DOI:10.1021/ac049360l

Reference yield:

Isopropyl acetate (108-21-4) + 3-methyl-phenol (108-39-4) → 3-Methyl-4-isopropylphenol (3228-02-2) + thymol (89-83-8) + 2-isopropyl-5-methylphenyl acetate (528-79-0) + 1-isopropoxy-3-methylbenzene (19177-04-9)

Guidance literature:

With 4 A molecular sieve; at 200 ℃; Further Variations:; Reagents; Temperatures; Product distribution;

DOI:10.1016/j.jcat.2004.03.019

upstream raw materials:

3-methyl-2-isopropyl-phenol

1-isopropoxy-3-methylbenzene

6-tert-butyl-4-isopropyl-3-methylphenol

propene

Downstream raw materials:

4-Isopropyl-5-methyl-2-piperidinomethyl-phenol

2-Benzyl-4-isopropyl-3-methyl-phenol

2,6-Dibenzyl-4-isopropyl-3-methyl-phenol

(4-isopropyl-3-methyl-phenoxy)-acetic acid

Refernces

• 1、 -. "Preparation method 3 - methyl -4 - isopropylphenol (by machine translation)". Paragraph 0039-0050. . Retrieved 2020/10/04.
• 2、 Teodorescu, Florina,Enache, Adrian,Sandulescu, Madalina. "Selective alkylation of m-cresol with isopropyl alcohol under solvent-free conditions". . p. 58 - 66. Retrieved 2017/07/26.