2,6-Diisopropyl-4-methylphenol

Base Information

• Chemical Name: 2,6-Diisopropyl-4-methylphenol
• CAS No.: 20766-99-8
• Molecular Formula: C13H20O
• Molecular Weight: 192.301
• Hs Code.: 2907199090
• NSC Number: 82343
• UNII: SCE5R5YD4Y
• DSSTox Substance ID: DTXSID60174837
• Nikkaji Number: J79.312D
• Wikidata: Q83044996
• ChEMBL ID: CHEMBL283494
• Mol file: 20766-99-8.mol

Synonyms:2,6-Diisopropyl-4-methylphenol;20766-99-8;4-methyl-2,6-di(propan-2-yl)phenol;Phenol, 2,6-diisopropyl-4-methyl-;NSC 82343;SCE5R5YD4Y;BRN 2089316;4-Methyl-2,6-diisopropylphenol;Phenol, 4-methyl-2,6-bis(1-methylethyl)-;NSC-82343;NSC82343;UNII-SCE5R5YD4Y;2,6-diisopropyl-p-cresol;SCHEMBL544651;CHEMBL283494;DTXSID60174837;CCG-40473;P-CRESOL, 2,6-DIISOPROPYL-;AKOS006275430;4-methyl-2,6-bis(propan-2-yl)phenol;2,6-bis(1-methylethyl)-4-methylphenol;LS-104415;F53595

Chemical Property of 2,6-Diisopropyl-4-methylphenol

Chemical Property:

• Vapor Pressure: 0.00944mmHg at 25°C
• Boiling Point: 256.7°Cat760mmHg
• Flash Point: 115.3°C
• PSA: 20.23000
• Density: 0.941g/cm³
• LogP: 3.94740
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Diisopropyl-4-methylphenol

There total 5 articles about 2,6-Diisopropyl-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: 97.0%

4-(hydroxymethyl)-2,6-diisopropylphenol (33403-20-2) → 2,6-Di-iso-propyl-4-methylphenol (20766-99-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; chlorobenzene; for 8h; Heating;

DOI:10.1016/S0040-4039(98)01803-6

Reference yield:

p-cresyl isopropyl ether (22921-10-4) + boron trifluoride (7637-07-2) → p-cresol (106-44-5) + Isothymol (4427-56-9) + 2,6-Di-iso-propyl-4-methylphenol (20766-99-8) + isopropyl 4-methyl-2-isopropylphenyl ether (93308-41-9)

Guidance literature:

DOI:10.1021/ja01335a062 DOI:10.1021/ja01344a047

Reference yield:

p-cresol (106-44-5) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → Isothymol (4427-56-9) + 2,6-Di-iso-propyl-4-methylphenol (20766-99-8)

Guidance literature:

With aluminium tris(p-methylphenoxide); at 220 ℃;

upstream raw materials:

p-cresol

propene

p-cresyl isopropyl ether

4-(hydroxymethyl)-2,6-diisopropylphenol

Downstream raw materials:

3,5-diisopropyl-4-hydroxybenzaldehyde