4,6-Di-tert-butylresorcinol
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
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.
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
222.161979940 g/mol
Monoisotopic Mass
222.161979940 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
210
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
