3,5-Di-tert-butylcatechol - CAS 1020-31-1

Catalog:	BB000755
Product Name:	3,5-Di-tert-butylcatechol
CAS:	1020-31-1
Synonyms:	3,5-ditert-butylbenzene-1,2-diol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3,5-ditert-butylbenzene-1,2-diol
Description:	3,5-Di-tert-butylcatechol (CAS# 1020-31-1) is a useful research chemical.
Molecular Weight:	222.32
Molecular Formula:	C14H22O2
Canonical SMILES:	CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
InChI:	InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3
InChI Key:	PJZLSMMERMMQBJ-UHFFFAOYSA-N
Boiling Point:	309.7 °C at 760 mmHg
Density:	1.012 g/cm³
Appearance:	White to light brown solid
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00008819
LogP:	3.69280

Publication Number	Title	Priority Date
CN-113264895-A	Synthetic method for preparing benzoxazole compound from catechol compound and amine compound	20210606
CN-113264896-A	Synthetic method for preparing benzoxazole compound by oxidizing catechol compound with oxygen	20210606
CN-113264927-A	Synthesis method of dibenzoxazole fluorescent whitening agent and derivative thereof	20210606
CN-113321625-A	Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound	20210606
CN-113304054-A	Dental self-acid-etching adhesive with remineralization effect and preparation method thereof	20210525

PMID	Publication Date	Title	Journal
24003018	20131001	Synthesis and characterization of novel organocobaloximes as potential catecholase and antimicrobial activity agents	Archiv der Pharmazie
22963285	20121001	Insertion of a hydroxido bridge into a diphenoxido dinuclear copper(II) complex: drastic change of the magnetic property from strong antiferromagnetic to ferromagnetic and enhancement in the catecholase activity	Inorganic chemistry
22867434	20120820	Radical pathway in catecholase activity with zinc-based model complexes of compartmental ligands	Inorganic chemistry
22759340	20120806	Synthesis, crystal structures, magnetic properties and catecholase activity of double phenoxido-bridged penta-coordinated dinuclear nickel(II) complexes derived from reduced Schiff-base ligands: mechanistic inference of catecholase activity	Inorganic chemistry
22480578	20120701	3,5-Di-t-butyl catechol is a potent human ryanodine receptor 1 activator, not suitable for the diagnosis of malignant hyperthermia susceptibility	Pharmacological research

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Related Functional Groups

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.161979940
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	222.161979940
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6