CAS No.935-92-2,TRIMETHYLQUINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	935-92-2
Name:	TRIMETHYLQUINONE
Article Data:	223

Formula:	C9H10 O2
Molecular Weight:	150.177
Synonyms:	Benzoquinone,trimethyl- (6CI); p-Benzoquinone, 2,3,5-trimethyl- (8CI); p-Benzoquinone,trimethyl- (5CI); 2,3,5-Trimethyl-1,4-benzoquinone;2,3,5-Trimethyl-2,5-cyclohexadiene-1,4-dione; 2,3,5-Trimethyl-p-benzoquinone;2,3,5-Trimethylbenzoquinone; 2,3,5-Trimethylquinone;2,3,6-Trimethyl-1,4-benzoquinone; 2,3,6-Trimethyl-p-benzoquinone;2,3,6-Trimethylbenzoquinone; Cumoquinone; NSC 93919;Trimethyl-1,4-benzoquinone; Trimethyl-p-benzoquinone; Trimethyl-p-quinone;Trimethylbenzoquinone; Trimethylquinone; p-Pseudocumoquinone; y-Cumoquinone
Density:	1.072g/cm³
Melting Point:	36 °C
Boiling Point:	215.3°Cat760mmHg
Flash Point:	77.3°C
Safety:	A poison by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA:	34.14000
LogP:	1.42090

Synthetic route

: 700-13-0
Trimethylhydroquinone

: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

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%

: 2416-94-6
2,3,6-trimethylphenol

: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

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%

: 79-21-0
peracetic acid

: 2416-94-6
2,3,6-trimethylphenol

A: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

B: 527-17-3, 70128-24-4
Duroquinone

C: 700-13-0
Trimethylhydroquinone

D: 2819-86-5
pentamethylphenol

E: 21573-36-4
1-methoxy-2,3,6-trimethylbenzene

F: 62687-45-0
2,3,6-trimethylphenyl acetate

Conditions

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%

...Expand

: 700-13-0
Trimethylhydroquinone

: 64-19-7
acetic acid

A: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

B: 4537-09-1
1,4-dimethoxy-2,3,5-trimethyl-benzene

C: 7479-28-9
2,3,5-trimethyl-1,4-hydroquinone diacetate

D: 36592-62-8
4-acetoxy-2,3,5-trimethylphenol

E: 130422-86-5
4-methoxy-2,3,5-trimethylphenol

F: 1-acetoxy-4-methoxy-2,3,5-trimethylbenzene

Conditions

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%

...Expand

: 2416-94-6
2,3,6-trimethylphenol

: 64-19-7
acetic acid

A: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

B: 527-17-3, 70128-24-4
Duroquinone

C: 2819-86-5
pentamethylphenol

D: 21573-36-4
1-methoxy-2,3,6-trimethylbenzene

E: 7479-28-9
2,3,5-trimethyl-1,4-hydroquinone diacetate

F: 62687-45-0
2,3,6-trimethylphenyl acetate

Conditions

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%

...Expand

: 79-21-0
peracetic acid

: 700-13-0
Trimethylhydroquinone

A: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

B: 4537-09-1
1,4-dimethoxy-2,3,5-trimethyl-benzene

C: 7479-28-9
2,3,5-trimethyl-1,4-hydroquinone diacetate

D: 36592-62-8
4-acetoxy-2,3,5-trimethylphenol

E: 130422-86-5
4-methoxy-2,3,5-trimethylphenol

F: 1-acetoxy-4-methoxy-2,3,5-trimethylbenzene

Conditions

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%

...Expand

: 697-82-5
2,3,5-trimethylphenol

: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

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%

: 36433-51-9
4-chloro-2,3,6-trimethylphenol

: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

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-methyl-4-hydroxy-3,6-dimethyloltoluene

: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

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%

: 95-63-6
1,2,4-Trimethylbenzene

: 935-92-2
2,3,5-Trimethyl-1,4-benzoquinone

Conditions

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%

Raw Materials

95-63-6

359-48-8

108-67-8

64-17-5

Downstream Products

700-13-0

2913-43-1

2134-78-3

527-17-3

18477-17-3

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Chemistry

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

Toxicity Data With Reference

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,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A poison by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

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 .