Phenol, 3-methyl(1-methylethyl)-

Base Information

• Chemical Name: Phenol, 3-methyl(1-methylethyl)-
• CAS No.: 3228-01-1
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2907199090
• European Community (EC) Number: 215-327-6,221-760-1
• UNII: 9T14VIE176
• DSSTox Substance ID: DTXSID5061667
• Nikkaji Number: J37.618C
• Wikidata: Q81989586
• Mol file: 3228-01-1.mol

Synonyms:Isopropyl-m-cresol;2-Isopropyl-m-cresol;Phenol, 3-methyl(1-methylethyl)-;vic-Thymol;1321-81-9;3228-01-1;3-methyl-2-isopropylphenol;9T14VIE176;EINECS 215-327-6;Phenol, 3-methyl-2-(1-methylethyl)-;2-isopropyl-3-methylphenol;3-methyl-2-propan-2-ylphenol;methylisopropylphenol;EINECS 221-760-1;isopropyl-3-methylphenol;O-CYMEN-3-OL;SCHEMBL184407;UNII-9T14VIE176;DTXSID5061667;MB22300

Chemical Property of Phenol, 3-methyl(1-methylethyl)-

Chemical Property:

• Vapor Pressure: 0.0471mmHg at 25°C
• Melting Point: 69°C
• Refractive Index: 1.5133 (estimate)
• Boiling Point: 229°Cat760mmHg
• Flash Point: 101.4°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:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenol, 3-methyl(1-methylethyl)-

There total 26 articles about Phenol, 3-methyl(1-methylethyl)- 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: 98.0%

3-methyl-2-isopropenylphenol (1412-97-1) → 3-methyl-2-isopropyl-phenol (3228-01-1)

Guidance literature:

With platinum(IV) oxide; hydrogen; In ethyl acetate; at 10 ℃; for 6h; under 775.743 Torr;

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

upstream raw materials:

2-isopropyl-3-methyl-2-cyclohexen-1-one

1-isopropoxy-3-methylbenzene

3-methyl-2-isopropenylphenol

propene

Downstream raw materials:

3-Methyl-4-isopropylphenol

thymol

(1RS,2SR,3SR)-o-menthan-3-ol

2-Isopropyl-3-methyl-4-nitro-phenol