Conditions | Yield |
---|---|
With benzyltrimethylammonium tribromide; sodium acetate In dichloromethane; water for 2h; Ambient temperature; | 100% |
With pyridine; 3-carboxypyridinium dichromate In dichloromethane for 0.333333h; Ambient temperature; | 100% |
With dihydrogen peroxide In acetic acid | 100% |
Conditions | Yield |
---|---|
With peracetic acid; sulfuric acid at 50℃; for 0.5h; | 99.7% |
With hydroxylamine hydrochloride; oxygen In tert-butyl alcohol at 40℃; under 860.3 Torr; for 2h; | 96% |
With iodine | 95% |
peracetic acid
2,3,6-trimethylphenol
A
2,3,5-Trimethyl-1,4-benzoquinone
B
Duroquinone
C
Trimethylhydroquinone
D
pentamethylphenol
E
1-methoxy-2,3,6-trimethylbenzene
F
2,3,6-trimethylphenyl acetate
Conditions | Yield |
---|---|
sulfuric acid at 50℃; for 0.5h; Mechanism; Thermodynamic data; effect of catalysts; | A 99.7% B 0.04% C 0.01% D 0.01% E 0.03% F 0.04% |
Trimethylhydroquinone
acetic acid
A
2,3,5-Trimethyl-1,4-benzoquinone
B
1,4-dimethoxy-2,3,5-trimethyl-benzene
C
2,3,5-trimethyl-1,4-hydroquinone diacetate
D
4-acetoxy-2,3,5-trimethylphenol
E
4-methoxy-2,3,5-trimethylphenol
Conditions | Yield |
---|---|
With peracetic acid at 50℃; for 0.25h; Product distribution; Kinetics; Thermodynamic data; | A 99.7% B 0.05% C 0.05% D 0.04% E 0.04% F 0.06% |
2,3,6-trimethylphenol
acetic acid
A
2,3,5-Trimethyl-1,4-benzoquinone
B
Duroquinone
C
pentamethylphenol
D
1-methoxy-2,3,6-trimethylbenzene
E
2,3,5-trimethyl-1,4-hydroquinone diacetate
F
2,3,6-trimethylphenyl acetate
Conditions | Yield |
---|---|
With peracetic acid at 50℃; for 0.25h; Product distribution; Kinetics; Thermodynamic data; | A 99.7% B 0.04% C 0.01% D 0.03% E 0.02% F 0.05% |
peracetic acid
Trimethylhydroquinone
A
2,3,5-Trimethyl-1,4-benzoquinone
B
1,4-dimethoxy-2,3,5-trimethyl-benzene
C
2,3,5-trimethyl-1,4-hydroquinone diacetate
D
4-acetoxy-2,3,5-trimethylphenol
E
4-methoxy-2,3,5-trimethylphenol
Conditions | Yield |
---|---|
sulfuric acid at 50℃; for 0.5h; Mechanism; Thermodynamic data; effect of catalysts; | A 99.5% B 0.05% C 0.06% D 0.05% E 0.04% F 0.07% |
Conditions | Yield |
---|---|
With titanium superoxide; dihydrogen peroxide; acetic acid In water at 50℃; for 2h; | 96% |
With oxygen In water; acetonitrile at 40℃; under 15001.5 Torr; for 1h; Green chemistry; | 94% |
With 5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin; oxygen In chloroform; acetonitrile for 24h; Product distribution; Further Variations:; Reagents; Irradiation; | 93% |
4-chloro-2,3,6-trimethylphenol
2,3,5-Trimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With nitric acid In tetrachloromethane; water | 95.3% |
With nitric acid In acetic acid | 92% |
With nitric acid In water | 90.6% |
With nitric acid In acetic acid | 354 mg |
2,3,5-Trimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
Stage #1: 2-methyl-4-hydroxy-3,6-dimethyloltoluene With molybdenum (IV) sulfide; hexane-2,5-diol at 46 - 54℃; for 2.33333h; Green chemistry; Stage #2: With α-picoline; N-methylaniline Green chemistry; | 95% |
Conditions | Yield |
---|---|
With phthalic anhydride; dihydrogen peroxide In neat (no solvent) at 118 - 120℃; for 2.5h; Reagent/catalyst; Temperature; Time; Solvent; | 92% |
With dihydrogen peroxide; acetic anhydride; methyltrioxorhenium(VII) In water at 60℃; | 37% |
With 3-chloro-benzenecarboperoxoic acid In chloroform at 60 - 70℃; for 0.5h; | 16.5% |
2,3,5-trimethyl-4-nitrosophenol
2,3,5-Trimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride; iron | 92% |
Conditions | Yield |
---|---|
With ammonia In toluene | 87% |
trimethylhydroquinone
2,3,5-Trimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With rhodium(III) chloride hydrate; oxygen; C25H44NO2PS In 1,2-dichloro-ethane at 23℃; for 40h; | 87% |
2,3,6-trimethylphenol
A
2,3,5-Trimethyl-1,4-benzoquinone
B
2,2',3,3',5,5'-hexamethyl-(1,1'-biphenyl)-4,4'-diol
Conditions | Yield |
---|---|
With oxygen; N,N-dimethylammonium chloride In various solvent(s) at 60℃; under 760 Torr; for 5h; In oxygen atmosphere.; | A 84.2% B 13.3% |
With manganese(III) acetylacetonate In acetic acid for 0.05h; Heating; | A 15% B 63% |
With dihydrogen peroxide; ferritin In water at 80℃; | A 10% B n/a |
1,2,4-Trimethylbenzene
acetic acid
A
2,3,5-Trimethyl-1,4-benzoquinone
B
Duroquinone
C
2,3,5-trimethylanisole
D
2,3,6-trimethylphenyl acetate
E
1-methoxy-2,4,5-trimethylbenzene
F
3-acetoxy-2,5-dihydroxy-5-carboxy-2,3,5-trimethylpentan-4-olide
Conditions | Yield |
---|---|
With peracetic acid at 70℃; for 0.5h; Product distribution; Kinetics; Thermodynamic data; other reaction time: 4 h.; | A 16% B 0.03% C 0.02% D 0.03% E 0.04% F 82.6% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide at 80℃; for 12h; Catalytic behavior; Reagent/catalyst; Temperature; | A 82.3% B n/a |
Conditions | Yield |
---|---|
With Nitrogen dioxide In dichloromethane in the dark; -78 deg C, 2 min; RT, 15 min; | A 80% B 6% |
With Nitrogen dioxide In dichloromethane for 0.0833333h; Ambient temperature; | A 80% B n/a |
With Nitrogen dioxide In acetonitrile at -35℃; for 0.166667h; | A 28 % Chromat. B 27 % Chromat. |
4-bromo-2,3,6-trimethylphenol
2,3,5-Trimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With nitric acid In acetic acid | 80% |
2,3,6-trimethylphenol
A
2,3,5-Trimethyl-1,4-benzoquinone
B
2,3,6-trimethyl-2,3-epoxy-1,4-benzoquinone
C
2,5,6-trimethyl-2,3-epoxy-1,4-benzoquinone
D
2,2',3,3',5,5'-hexamethyl-(1,1'-biphenyl)-4,4'-diol
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide In acetonitrile at 35℃; Mechanism; Kinetics; Temperature; Concentration; | A 80% B 7% C 7% D 5% |
1-methoxy-4-hydroxy-2,3,5-trimethylbenzene
2,3,5-Trimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With dihydrogen peroxide; ruthenium trichloride In acetic acid | 77% |
Conditions | Yield |
---|---|
With peroxomonophosphoric acid In acetonitrile at 25℃; for 4h; Product distribution; Kinetics; Rate constant; other reagent, ratio of reagent, catalyst, reaction time and temperature; effect of acidity for the H2SO4-catalysed reaction; | A 77% B n/a |
With peroxomonophosphoric acid In acetonitrile at 25℃; for 4h; | A 77% B n/a |
Conditions | Yield |
---|---|
With manganese(IV) oxide; nitric acid In dichloromethane for 1.5h; Ambient temperature; | 76% |
With ammonium cerium (IV) nitrate In water; acetonitrile at 20℃; | 48% |
2,3,6-trimethylphenol
A
2,3,5-Trimethyl-1,4-benzoquinone
B
4-chloro-2,3,6-trimethylphenol
Conditions | Yield |
---|---|
With oxygen In water; hexan-1-ol at 90℃; under 760.051 Torr; for 24h; Overall yield = 81 %; | A 74% B 7% |
2,3,6-trimethylphenol
A
2,3,5-Trimethyl-1,4-benzoquinone
B
2-hydroxy-3,5,6-trimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioxorhenium(VII) In acetic acid at 40℃; for 2h; | A 70% B 3% |
2,3,6-trimethylphenol
A
2,3,5-Trimethyl-1,4-benzoquinone
B
4-chloro-2,3,6-trimethylphenol
C
2,2',3,3',5,5'-hexamethyl-(1,1'-biphenyl)-4,4'-diol
Conditions | Yield |
---|---|
With oxygen; lithium chloride In various solvent(s) at 60℃; under 760 Torr; for 5h; Product distribution; Mechanism; Variation of additive. In oxygen atmosphere.; | A 68.8% B 6.7% C 16.5% |
With oxygen; diethyl amine hydrochloride In isopropyl alcohol at 40℃; under 860.3 Torr; for 5h; Product distribution; additive, time, solvent; | A 15.8% B 3.8% C 7.5% |
With oxygen; 2-aminoethanoic acid hydrochloride In various solvent(s) at 60℃; under 860.3 Torr; for 4h; | A 3.2% B 12.4 % Chromat. C 3.6% |
With hydroxylamine hydrochloride; oxygen In methanol at 60℃; under 860.3 Torr; for 5h; Product distribution; other methyl-substituted phenol; var. reagents, solvents and times; | A 55.9 % Chromat. B 2.4 % Chromat. C 18.1 % Chromat. |
2,3,5-trimethylphenol
acetic acid
A
2,3,5-Trimethyl-1,4-benzoquinone
B
2,3,5-trimethyl-1,6-benzoquinone
C
2,3,5-trimethylanisole
D
1-acetoxy-2,3,5-trimethylbenzene
F
3-acetoxy-2,5-dihydroxy-5-carboxy-2,3,5-trimethylpentan-4-olide
Conditions | Yield |
---|---|
With peracetic acid at 50℃; for 0.25h; Product distribution; Kinetics; Thermodynamic data; | A 68.2% B 0.02% C 0.03% D 0.04% E 0.03% F 30.5% |
1,4-Bis-(tert-butyl-dimethyl-silanyloxy)-2,3,5-trimethyl-benzene
2,3,5-Trimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With dioxochloro(trimethylsiloxy)chromate(VI) In dichloromethane for 0.5h; Ambient temperature; | 68% |
peracetic acid
2,3,5-trimethylphenol
A
2,3,5-Trimethyl-1,4-benzoquinone
B
Trimethylhydroquinone
C
2,3,5-trimethyl-1,6-benzoquinone
D
2,3,5-trimethylanisole
E
1-acetoxy-2,3,5-trimethylbenzene
Conditions | Yield |
---|---|
sulfuric acid at 50℃; for 0.5h; Mechanism; Thermodynamic data; effect of catalysts; | A 67.15% B 0.15% C n/a D 0.03% E 0.04% F 32.03% |
Conditions | Yield |
---|---|
With peracetic acid; sulfuric acid at 50℃; for 0.5h; | A 67.15% B 32.03% |
Conditions | Yield |
---|---|
With sodium dithionite In diethyl ether; water | 100% |
With sodium dithionite In diethyl ether; water at 20℃; | 100% |
With hydrogen In isopropyl alcohol at 110℃; under 7500.75 Torr; Reagent/catalyst; Autoclave; | 98% |
2,3,5-Trimethyl-1,4-benzoquinone
2-(triisopropylsiloxy)-1,3-butadiene
Conditions | Yield |
---|---|
With oxazaborolidinium(1+)*Tf2N(1-) In dichloromethane at -78℃; for 12h; Diels-Alder reaction; | 98% |
sodium diethylmalonate
2,3,5-Trimethyl-1,4-benzoquinone
ethyl 2,3-dihydro-5-hydroxy-4,6,7-trimethyl-2-oxo-3-benzofurancarboxylate
Conditions | Yield |
---|---|
In ethanol | 93% |
Conditions | Yield |
---|---|
With dibenzoyl peroxide In acetic acid for 4h; Heating; | 93% |
Conditions | Yield |
---|---|
In benzene for 120h; Ambient temperature; | 89% |
2,3,5-Trimethyl-1,4-benzoquinone
acetic anhydride
1,2,4-triacetoxy-3,5,6-trimethyl-benzene
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid for 20h; Ambient temperature; | 88% |
With sulfuric acid Erhitzen auf dem Dampfbad; | |
With sulfuric acid | |
With boron trifluoride diethyl etherate |
2,3,5-Trimethyl-1,4-benzoquinone
(3-Cyclopropylidenprop-1-enyl)-ethyl-ether
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane at 50℃; for 24h; | 84.2% |
Conditions | Yield |
---|---|
With formic acid; zinc copper for 2h; Heating; | 83% |
2,3,5-Trimethyl-1,4-benzoquinone
ethylene glycol
6,7,9-trimethyl-1,4-dioxaspiro<4.5>deca-6,9-dien-8-one
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid; orthoformic acid triethyl ester In dichloromethane for 240h; Ambient temperature; | 83% |
With toluene-4-sulfonic acid; orthoformic acid triethyl ester In 1,4-dioxane at 20 - 25℃; for 96h; | 76% |
2,3,5-Trimethyl-1,4-benzoquinone
sodium benzenesulfonate
2,3,5-trimethyl-6-phenylsulfonylhydroquinone
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane; water Ambient temperature; | 82% |
(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol
2,3,5-Trimethyl-1,4-benzoquinone
vitamin E
Conditions | Yield |
---|---|
With formic acid; zinc copper for 2h; Heating; | 81% |
Conditions | Yield |
---|---|
In benzene for 168h; Ambient temperature; | 80% |
Product Name: p-Pseudocumoquinone (CAS NO.935-92-2)
Molecular Formula: C9H10O2
Molecular Weight: 150.17g/mol
Mol File: 935-92-2.mol
Einecs: 213-309-2
Boiling point: 215.3 °C at 760 mmHg
Flash Point: 77.3 °C
Density: 1.072 g/cm3
Surface Tension: 32.8 dyne/cm
Enthalpy of Vaporization: 45.17 kJ/mol
Vapour Pressure: 0.149 mmHg at 25°C
XLogP3-AA: 1.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of p-Pseudocumoquinone (CAS NO.935-92-2):
IUPAC Name: 2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione
Canonical SMILES: CC1=CC(=O)C(=C(C1=O)C)C
InChI: InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3
InChIKey: QIXDHVDGPXBRRD-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 18mg/kg (18mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0529741-1, |
mouse | LD50 | oral | 200mg/kg (200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0545315, |
rabbit | LD50 | skin | > 200mg/kg (200mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0291-1191, | |
rat | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | National Technical Information Service. Vol. OTS0545315, |
rat | LD50 | oral | 200mg/kg (200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | National Technical Information Service. Vol. OTS0545315, |
rat | LDLo | skin | 200mg/kg (200mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0291-1191, |
Reported in EPA TSCA Inventory.
A poison by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
p-Pseudocumoquinone ,its CAS NO. is 935-92-2,the synonyms is 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl- ; p-Benzoquinone, 2,3,5-trimethyl- (8CI) ; 2,3,5-Trimethyl-1,4-benzoquinone ; 2,3,5-Trimethyl-2,5-cyclohexadien-1,4-dione ; 2,3,5-Trimethyl-p-benzoquinone ; 2,3,5-Trimethylbenzoquinone ; 2,3,5-Trimethylquinone ; 2,3,6-Trimethyl-p-benzoquinone ; 2,3,6-Trimethylbenzoquinone ; Benzoquinone, trimethyl- (6CI) ; Cumoquinone ; EINECS 213-309-2 ; NSC 93919 ; Pseudocumoquinone ; Trimethyl-1,4-benzoquinone ; Trimethyl-p-benzoquinone ; Trimethyl-p-quinone ; Trimethylbenzoquinone ; Trimethylchinon .
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