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
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 °C at 760 mmHg
Melting Point
54-58 °C
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 |
