4-Tert-butyl-2-(hydroxymethyl)phenol

Base Information

• Chemical Name: 4-Tert-butyl-2-(hydroxymethyl)phenol
• CAS No.: 6638-87-5
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• Hs Code.: 2907299090
• NSC Number: 48468
• UNII: 7D5E8G29GI
• DSSTox Substance ID: DTXSID00216604
• Nikkaji Number: J523.865J
• Wikidata: Q83092849
• Mol file: 6638-87-5.mol

Synonyms:2-hydroxy-5-tert-butylbenzyl alcohol;2-OHtBuBz alcohol

Chemical Property of 4-Tert-butyl-2-(hydroxymethyl)phenol

Chemical Property:

• Vapor Pressure: 0.00243mmHg at 25°C
• Melting Point: 90-91 °C
• Boiling Point: 279.1°C at 760 mmHg
• PKA: 10.14±0.18(Predicted)
• Flash Point: 127.6°C
• PSA: 40.46000
• Density: 1.07g/cm³
• LogP: 2.18200
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Tert-butyl-2-(hydroxymethyl)phenol

There total 12 articles about 4-Tert-butyl-2-(hydroxymethyl)phenol 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%

2-hydroxy-5-t-butylbenzaldehyde (2725-53-3) → 4-(tert-butyl)-2-(hydroxymethyl)phenol (6638-87-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1039/b926864b

Reference yield: 86.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + para-tert-butylphenol (98-54-4) → 4-(tert-butyl)-2-(hydroxymethyl)phenol (6638-87-5)

Guidance literature:

With sodium metaborate tetrahydrate; In water; at 40 ℃; for 24h; Reagent/catalyst; Temperature; Solvent; regioselective reaction; Catalytic behavior; Green chemistry;

DOI:10.1039/c4ob00228h

Reference yield: 85.0%

para-tert-butylphenol (98-54-4) → 4-(tert-butyl)-2-(hydroxymethyl)phenol (6638-87-5)

Guidance literature:

In 1,2-dimethoxyethane; xylene; at 135 ℃; for 12h;

DOI:10.1055/s-1980-28942

upstream raw materials:

tetrachloromethane

formaldehyd

ethanol

para-tert-butylphenol

Downstream raw materials:

bis(5-tert-butyl-2-hydroxyphenyl)methane

4-tert-butyl-2-(hydroxymethyl)-6-nitrophenol

5-tert-butyl-2-hydroxybenzyl bromide

2-[bis(5-tert-butyl-2-hydroxybenzyl)aminomethyl]-pyridine