p-Toluquinone

Product Information

Molecular Formula:
C7H6O2
Molecular Weight:
122.12
Description
EHS is a salicylic ester which can be used as an UV filter in sunscreen based creams.
Synonyms
METHYL-1,4-BENZOQUINONE; METHYL-P-BENZOQUINONE; METHYL-P-QUINONE; 2-METHYL-1,4-BENZOQUINONE; 2-methyl-2,5-cyclohexadiene-1,4-dione; P-TOLUQUINONE
IUPAC Name
2-methylcyclohexa-2,5-diene-1,4-dione
Canonical SMILES
CC1=CC(=O)C=CC1=O
InChI
InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChI Key
VTWDKFNVVLAELH-UHFFFAOYSA-N
Boiling Point
186.6°C at 760mmHg
Melting Point
66-70°C
Flash Point
235.4 °F
Purity
96%
Density
1.173g/cm3
Solubility
Slightly soluble in water
Appearance
Yellow plates or needles.
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
n20/D 1.542 (lit.)
LogP
log Kow = 0.72
Vapor Pressure
0.03 [mmHg]

Computed Properties

XLogP3
0.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
122.036779430 g/mol
Monoisotopic Mass
122.036779430 g/mol
Topological Polar Surface Area
34.1Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
221
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-113845414-A Method for synthesizing 2, 6-naphthalene dicarboxylic acid 2021-11-25
CN-113845414-B Method for synthesizing 2, 6-naphthalene dicarboxylic acid 2021-11-25
CN-113897128-A Wear-resistant and anti-fouling ultraviolet-curing PVC floor coating 2021-11-15
CN-113684488-A Process for manufacturing new energy battery material and new energy hydrogen by carbon ferrochrome liquid phase method 2021-08-30
CN-113402354-A Preparation method of 2, 6-dimethylnaphthalene 2021-08-19
CN-113402354-B Preparation method of 2, 6-dimethylnaphthalene 2021-08-19
CN-113648293-A Application of p-benzoquinone and/or p-benzoquinone derivative in preparation of novel coronavirus resistant medicine 2021-08-19
KR-102367705-B1 Solvent-free quantumdot composition, manufacturing method thereof and cured film, color filter and display device using the same 2021-08-06
CN-113402850-A Low-dielectric-constant and low-warpage epoxy plastic packaging material composition, preparation and application 2021-07-13
CN-214158588-U Sublimation crystallization device is used in p-benzoquinone production 2021-07-09

Literatures

PMID Publication Date Title Journal
26558468 2015-12-01 Covalent binding of quinones activates the Ah receptor in Hepa1c1c7 cells The Journal of toxicological sciences
22190684 2012-02-10 Determination of the proton environment of high stability Menasemiquinone intermediate in Escherichia coli nitrate reductase A by pulsed EPR The Journal of biological chemistry
22252536 2012-01-01 n-Hexyl laurate and fourteen related fatty acid esters: new secretory compounds from the julid millipede, Anaulaciulus sp Journal of chemical ecology
22363223 2012-01-01 A new cytotoxic sesquiterpene quinone produced by Penicillium sp. F00120 isolated from a deep sea sediment sample Marine drugs
22101549 2011-12-01 Composition of the defensive secretion in three species of European millipedes Journal of chemical ecology
21872394 2011-10-30 Solar photoelectro-Fenton degradation of the herbicide 4-chloro-2-methylphenoxyacetic acid optimized by response surface methodology Journal of hazardous materials
21475986 2011-05-01 Density-related volatile emissions and responses in the red flour beetle, Tribolium castaneum Journal of chemical ecology
21495889 2011-03-01 Human accidents involving Rhinocricus spp., a common millipede genus observed in urban areas of Brazil Clinical toxicology (Philadelphia, Pa.)
21528729 2011-01-01 The carcinogenic effects of benzoquinones produced by the flour beetle Polish journal of veterinary sciences
21738410 2011-01-01 Predator feeding choice on conspicuous and non-conspicuous carabid beetles: first results ZooKeys
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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