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137-18-8

Basic Information
CAS No.: 137-18-8
Name: P-XYLOQUINONE
Article Data: 135
Molecular Structure:
Molecular Structure of 137-18-8 (P-XYLOQUINONE)
Formula: C8H8O2
Molecular Weight: 136.15
Synonyms: Phlorone;p-Benzoquinone,2,5-dimethyl- (8CI);2,5-Dimethyl-1,4-benzoquinone;2,5-Dimethyl-2,5-cyclohexadiene-1,4-dione;2,5-Dimethyl-p-benzoquinone;2,5-Dimethyl-p-quinone;2,5-Dimethylbenzoquinone;2,5-Xyloquinone;3,6-Dimethyl-p-benzoquinone;DMBQ;
EINECS: 205-283-6
Density: 1.115 g/cm3
Melting Point: 123-125 °C
Boiling Point: 200.9 °C at 760 mmHg
Flash Point: 71.1 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-37/39
Transport Information: UN 2811 6.1/PG 3
PSA: 34.14000
LogP: 1.03080
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    137-18-8

    2,5-Dimethyl-1,4-benzoquinone

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    2,5-Dimethyl-1,4-benzoquinone is a quinone derivative. Its reaction with jack bean urease in phosphate buffer, pH 7.8 has been studied. It is present as one of the component of defensive secretion of opilionid Acanthopachylus aculeatus. It has been i

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  • P-XYLOQUINONE

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    137-18-8

    P-XYLOQUINONE

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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  • p-Xyloquinone

  • Casno:

    137-18-8

    p-Xyloquinone

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    P-XYLOQUINONE

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The CAS registry number of p-Xyloquinone is 137-18-8. Its EINECS registry number is 205-283-6. In addition, the molecular formula is C8H8O2 and the molecular weight is 136.16. The IUPAC name is 2,5-dimethylcyclohexa-2,5-diene-1,4-dione. What's more, it is a kind of yellow to brown crystalline powder and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.45; (2)ACD/LogD (pH 5.5): 1.45; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 7.39; (5)ACD/BCF (pH 7.4): 7.39; (6)ACD/KOC (pH 5.5): 145.72; (7)ACD/KOC (pH 7.4): 145.72; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14 Å2; (10)Index of Refraction: 1.51; (11)Molar Refractivity: 36.54 cm3; (12)Molar Volume: 122 cm3; (13)Polarizability: 14.48 ×10-24cm3; (14)Surface Tension: 36 dyne/cm; (15)Density: 1.115 g/cm3; (16)Flash Point: 71.1 °C; (17)Enthalpy of Vaporization: 43.71 kJ/mol; (18)Boiling Point: 200.9 °C at 760 mmHg; (19)Vapour Pressure: 0.317 mmHg at 25°C.

Preparation of p-Xyloquinone: it can be prepared by 2,5-dimethyl-phenol. This reaction will need reagents 60 percent H2O2 and phosphomolybdic acid, and solvent acetic acid. The reaction time is 5 hours at reaction temperature of 30 °C. The yield is about 66.9%.

p-Xyloquinone can be prepared by 2,5-dimethyl-phenol.

Uses of p-Xyloquinone: it can react with ethoxyethene to get 2-ethoxy-2,3-dihydro-5-hydroxy-4,7-dimethylbenzofuran. This reaction will need solvent benzene. The reaction time is 2 hours with irradiation. The yield is about 37%.

p-Xyloquinone can react with ethoxyethene to get 2-ethoxy-2,3-dihydro-5-hydroxy-4,7-dimethylbenzofuran

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C(=C/C(=O)/C(=C/1)C)C
(2)Std.InChI: InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
(3)Std.InChIKey: MYKLQMNSFPAPLZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11mg/kg (11mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Bollettino Chimico Farmaceutico. Vol. 97, Pg. 533, 1958.
mouse LD50 oral 290mg/kg (290mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Bollettino Chimico Farmaceutico. Vol. 97, Pg. 533, 1958.
mouse LD50 subcutaneous 43mg/kg (43mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Bollettino Chimico Farmaceutico. Vol. 97, Pg. 533, 1958.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 39, 1953.