4,6-Di-tert-butylresorcinol

Inquiry

Molecular Formula:

C14H22O2

Molecular Weight:

222.32

CAS Number:

5374-06-1

Catalog Number:

5374-06-1

Product Information

Molecular Formula:

C14H22O2

Molecular Weight:

222.32

Description

4,6-Di-tert-butylresorcinol (CAS# 5374-06-1 ) is a useful research chemical.

Synonyms

4,6-ditert-butylbenzene-1,3-diol

IUPAC Name

4,6-ditert-butylbenzene-1,3-diol

Canonical SMILES

CC(C)(C)C1=CC(=C(C=C1O)O)C(C)(C)C

InChI

InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3

InChI Key

KJFMXIXXYWHFAN-UHFFFAOYSA-N

Boiling Point

308.4 °C at 760 mmHg

Melting Point

123 °C

Purity

> 98.0 % (GC)

Density

1.012 g/cm³

Appearance

White to gray to brown powder to crystal

LogP

3.69280

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H413:
May cause long-lasting harmful effects to aquatic life.

Precautionary Statement

P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

4.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.161979940 g/mol

Monoisotopic Mass

222.161979940 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

210

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-112159313-A	Preparation method of big steric-hindrance bi-phenol skeleton and phosphonite ligand thereof	2020-10-30
CN-112341494-A	Novel large steric hindrance biphenyl triphenol skeleton and synthetic method of tridentate phosphonite ligand thereof	2020-10-14
CN-111747827-A	Biphenyl triphenol compound and preparation method and application thereof	2020-07-16
CN-111848683-A	Biphenyl tridentate phosphite ligand and preparation method and application thereof	2020-07-16
CN-111808426-A	Aromatic sulfone composition and preparation method and application thereof	2020-06-01
JP-2021167394-A	A conductive surface-treated powder filler, a method for producing the same, and a conductive composition containing the filler.	2020-04-10
CN-111909003-A	Oxidative coupling method for preparing kilogram-grade novel biphenyltetraphenol and catalyst thereof	2020-02-10
US-2021261586-A1	Biphenyl tetradentate phosphite compound preparation method and application thereof	2020-02-10
WO-2021105970-A1	Packaging coating system	2019-11-27
CN-111909207-A	Preparation of novel biphenyl tetradentate phosphonite ligand and application of novel biphenyl tetradentate phosphonite ligand in mixed/ether post-carbon hydroformylation reaction	2019-08-02

Literatures

PMID	Publication Date	Title	Journal
21353727	2011-05-01	Discovery of novel SERCA inhibitors by virtual screening of a large compound library	European journal of medicinal chemistry
12585875	2003-02-21	Copper(II)-mediated autoxidation of tert-butylresorcinols	The Journal of organic chemistry

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)