2-tert-Butyl-1,4-benzoquinone

Product Information

Molecular Formula:
C10H12O2
Molecular Weight:
164.20
Description
2-tert-Butyl-1,4-benzoquinone (CAS# 3602-55-9) is a useful research chemical.
Synonyms
2-tert-butylcyclohexa-2,5-diene-1,4-dione
IUPAC Name
2-tert-butylcyclohexa-2,5-diene-1,4-dione
Canonical SMILES
CC(C)(C)C1=CC(=O)C=CC1=O
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
Boiling Point
227.8 ℃ at 760 mmHg
Melting Point
54-58 ℃
Purity
98 %
Density
1.092 g/cm3
Appearance
Yellow to very dark yellow crystal or powder
LogP
1.66690

Safety Information

Hazards
H315 H319
Precautionary Statement
P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word
Danger

Computed Properties

XLogP3
2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
164.083729621 g/mol
Monoisotopic Mass
164.083729621 g/mol
Topological Polar Surface Area
34.1Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
288
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-114181222-A Synthetic method and application of nitrogen heterocyclic compound with anti-tumor effect 2021-11-25
CN-113814395-A Metallic tin reinforced nano TiO2Photocuring 3D printing ceramic slurry and preparation method thereof 2021-10-08
CN-113755103-A Epoxy adhesive with initial pressure sensitivity and preparation method thereof 2021-09-18
CN-113813959-A Preparation method of silver zirconate/titanium dioxide composite photocatalyst, product and application thereof 2021-09-17
AU-2021107259-A4 Oxazolone derivative and synthesis method thereof 2021-08-25
CN-113522338-A Boron-oxygen co-doped carbon nitride non-metallic ozone catalyst and preparation method and application thereof 2021-07-19
CN-113388347-A Preparation method of high-adaptability solid adhesive 2021-07-06
CN-113336884-A Oil-water interface suspension water-control emulsion, and preparation method and application thereof 2021-06-15
CN-113292516-A Multifunctional epoxy vegetable oil-based acrylate and preparation method and application thereof 2021-05-28
CN-113292910-A Bio-based multifunctional flame-retardant epoxy acrylate and preparation method and application thereof 2021-05-28

Literatures

PMID Publication Date Title Journal
31935363 2020-02-01 Benzoquinone derivatives with antioxidant activity inhibit activated hepatic stellate cells and attenuate liver fibrosis in TAA-induced mice Chemico-biological interactions
28645578 2017-07-15 The electrophilic character of quinones is essential for the suppression of Bach1 Toxicology
27853106 2016-01-01 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
26558468 2015-12-01 Covalent binding of quinones activates the Ah receptor in Hepa1c1c7 cells The Journal of toxicological sciences
25289770 2015-06-05 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
22466069 2012-09-01 Paradoxical cytotoxicity of tert-butylhydroquinone in vitro: What kills the untreated cells? Archives of toxicology
22498646 2012-01-01 Reduction of cytotoxic p-quinone metabolites of tert-butylhydroquinone by human aldo-keto reductase (AKR) 1B10 Drug metabolism and pharmacokinetics
21651925 2011-08-15 Participation of covalent modification of Keap1 in the activation of Nrf2 by tert-butylbenzoquinone, an electrophilic metabolite of butylated hydroxyanisole Toxicology and applied pharmacology
21630637 2011-07-15 tert-Butylhydroquinone as a spectroscopic probe for the superoxide radical scavenging activity assay of biological samples Analytical chemistry
20846517 2011-06-30 Induction of the Keap1/Nrf2/ARE pathway by oxidizable diphenols Chemico-biological interactions
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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