2,6-二叔丁基对苯醌

Description

2,6-Di-tert-butyl-p-benzoquinone · CAS 719-22-2 · C14H20O2. UNII 4C9D8L0Y0T. Melting Point: 65-67 °C; Vapor Pressure: 0.000411 [mmHg]; LogP: log Kow = 4.42.

Identification

CAS Registry Number	719-22-2
PubChem CID	12867
Molecular formula	C14H20O2
IUPAC name	2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione
UNII (FDA)	4C9D8L0Y0T

Computed Descriptors

Molecular Weight	220.31
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	220.146329876
Monoisotopic Mass	220.146329876
Topological Polar Surface Area	34.1
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Melting Point	65-67 °C
Vapor Pressure	0.000411 [mmHg]
LogP	log Kow = 4.42
LogP	4.42

Physical description & handling notes

• Yellow solid; [HSDB] Orange crystalline powder; [MSDSonline]
• Solid
• Yellow crystals

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (95.7%)

Documented Uses

• Used as an oxidant and polymerization catalyst; [HSDB]
• Oxidant, polymerization catalyst
• 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-: ACTIVE
• THE URINARY & FECAL EXCRETION OF 3 NEW METABOLITES OF BUTYLATED HYDROXYTOLUENE (BHT, 3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE) WERE REVEALED BY GAS CHROMATOGRAPHY AFTER IP ADMIN TO MALE WISTAR RATS. THE STRUCTURES OF THESE METABOLITES, 2,6-DI-TERT-BUTYL-P-BENZOQUINONE, 2,6-DI-TERT-BUTYLHYDROQUINONE, & 2,6-DI-TERT-BUTYL-4-((METHYLTHIO)METHYL)PHENOL WERE IDENTIFIED BY COMPARISON OF GAS CHROMATOGRAPHIC & MASS SPECTRAL DATA WITH THOSE OF AUTHENTIC SAMPLES.
• Quinones (ie, 6,12-dione) have been shown to undergo oxidation-reduction cycles involving quinone, hydroquinone, and molecular oxygen, resulting in the formation of oxygen radicals and semiquinone radicals. /Quinones/

Synonyms

719-22-2; 2,6-Di-tert-butyl-P-benzoquinone; 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione; 2,6-Di-tert-butyl-1,4-benzoquinone; 2,6-Di-tert-butylbenzoquinone; 2,6-DI-T-BUTYL-P-BENZOQUINONE; 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-; 2,6-Bis(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione; p-Benzoquinone, 2,6-di-tert-butyl-; 2,6-Di-t-butyl-1,4-benzoquinone; NSC 14448; CCRIS 7070; HSDB 2775; 3,5-di-tert-butylquinone; EINECS 211-946-0; NSC-14448

Frequently Asked Questions

What are the CAS number and molecular formula of 2,6-Di-tert-butyl-p-benzoquinone?

CAS 719-22-2; molecular formula C14H20O2; molecular weight — g/mol.

What other names is 2,6-Di-tert-butyl-p-benzoquinone known by?

719-22-2, 2,6-Di-tert-butyl-P-benzoquinone, 2,6-Di-tert-butylcyclohexa-2,5-diene-1,4-dione, 2,6-Di-tert-butyl-1,4-benzoquinone, 2,6-Di-tert-butylbenzoquinone, 2,6-DI-T-BUTYL-P-BENZOQUINONE.

Is 2,6-Di-tert-butyl-p-benzoquinone classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of 2,6-Di-tert-butyl-p-benzoquinone?

Melting Point: 65-67 °C; Vapor Pressure: 0.000411 [mmHg]; LogP: log Kow = 4.42; LogP: 4.42.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.