Home Other Building Blocks 2-tert-Butyl-1,4-benzoquinone

2-tert-Butyl-1,4-benzoquinone

CAS No.:
3602-55-9
Catalog Number:
AG003B9R
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%
In Stock USA
United States
$300
- +
500g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003B9R
Chemical Name:
2-tert-Butyl-1,4-benzoquinone
CAS Number:
3602-55-9
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00666928
IUPAC Name:
2-tert-butylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChI Key:
NCCTVAJNFXYWTM-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C(=C1)C(C)(C)C
EC Number:
222-757-8
UNII:
F18QT8490S
NSC Number:
124503
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
The electrophilic character of quinones is essential for the suppression of Bach1. Toxicology 20170715
Quinone-mediated induction of cytochrome P450 1A1 in HepG2 cells through increased interaction of aryl hydrocarbon receptor with aryl hydrocarbon receptor nuclear translocator. The Journal of toxicological sciences 20160101
Covalent binding of quinones activates the Ah receptor in Hepa1c1c7 cells. The Journal of toxicological sciences 20151201
Protective roles of aldo-keto reductase 1B10 and autophagy against toxicity induced by p-quinone metabolites of tert-butylhydroquinone in lung cancer A549 cells. Chemico-biological interactions 20150605
Paradoxical cytotoxicity of tert-butylhydroquinone in vitro: What kills the untreated cells? Archives of toxicology 20120901
Reduction of cytotoxic p-quinone metabolites of tert-butylhydroquinone by human aldo-keto reductase (AKR) 1B10. Drug metabolism and pharmacokinetics 20120101
Participation of covalent modification of Keap1 in the activation of Nrf2 by tert-butylbenzoquinone, an electrophilic metabolite of butylated hydroxyanisole. Toxicology and applied pharmacology 20110815
tert-Butylhydroquinone as a spectroscopic probe for the superoxide radical scavenging activity assay of biological samples. Analytical chemistry 20110715
Induction of the Keap1/Nrf2/ARE pathway by oxidizable diphenols. Chemico-biological interactions 20110630
The first catalytic tyrosinase model system based on a mononuclear copper(I) complex: kinetics and mechanism. Angewandte Chemie (International ed. in English) 20100823
Activation of the NRF2 signaling pathway by copper-mediated redox cycling of para- and ortho-hydroquinones. Chemistry & biology 20100129
Activity of 1,4-benzoquinones against formosan subterranean termites (Coptotermes formosanus). Journal of agricultural and food chemistry 20080611
Structural identification of extractables from rubber closures used for pre-filled semisolid drug applicator by chromatography, mass spectrometry, and organic synthesis. Journal of pharmaceutical and biomedical analysis 20040310
Cell death induced by the phenolic antioxidant tert-butylhydroquinone and its metabolite tert-butylquinone in human monocytic leukemia U937 cells. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20030501
Properties