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1,4-Cyclohexadiene,3,3,6,6-tetramethoxy- (15791-03-4)

Identification
Name:1,4-Cyclohexadiene,3,3,6,6-tetramethoxy-
Synonyms:p-Benzoquinone,bis(dimethyl acetal) (7CI,8CI); 1,1,4,4-Tetramethoxy-2,5-cyclohexadiene;2,5-Cyclohexadiene-1,4-dione bis(dimethyl acetal);3,3,6,6-Tetramethoxy-1,4-cyclohexadiene; Benzoquinone bis(dimethyl ketal);p-Benzoquinone tetramethyl acetal; p-Benzoquinone tetramethyl diacetal;p-Benzoquinone tetramethyl diketal; p-Benzoquinone tetramethyl ketal
CAS:15791-03-4
Molecular Formula: C10H16 O4
Molecular Weight: 200.23
InChI: InChI=1/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3
Molecular Structure: (C10H16O4) p-Benzoquinone,bis(dimethyl acetal) (7CI,8CI); 1,1,4,4-Tetramethoxy-2,5-cyclohexadiene;2,5-Cyclohexa...
Properties
Transport:1759
Melting Point: 45-48 °C(lit.)
Flash Point: 106 °C
Boiling Point: 60 °C/0.2 mmHg(lit.)
Density:1.06g/cm3
Refractive index:1.477
Specification:

The 3,3,6,6-Tetramethoxy-1,4-cyclohexadiene is an organic compound with the formula C10H16O4. The systematic name of this chemical is 3,3,6,6-tetramethoxycyclohexa-1,4-diene. With the CAS registry number 15791-03-4, it is also named as 1,4-cyclohexadiene, 3,3,6,6-tetramethoxy-.

Physical properties about 3,3,6,6-Tetramethoxy-1,4-cyclohexadiene are: (1)ACD/LogP: -0.12; (2)ACD/LogD (pH 5.5): -0.12; (3)ACD/LogD (pH 7.4): -0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.42; (7)ACD/KOC (pH 7.4): 20.42; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 36.92 Å2; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 53.1 cm3; (13)Molar Volume: 187.8 cm3; (14)Polarizability: 21.05×10-24cm3; (15)Surface Tension: 32.9 dyne/cm; (16)Density: 1.06 g/cm3; (17)Flash Point: 106.1 °C; (18)Enthalpy of Vaporization: 48.43 kJ/mol; (19)Boiling Point: 266.7 °C at 760 mmHg; (20)Vapour Pressure: 0.014 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-Dimethoxy-benzene and Methanol. This reaction will need reagent KOH. The reaction time is 24 hours with reaction temperature of 15 - 20 °C. The yield is about 73%.

Uses of 3,3,6,6-Tetramethoxy-1,4-cyclohexadiene: it can be used to produce 1,1,4,4-Tetraethoxy-1,4-dihydrobenzene. It will need reagent HOAc with reaction time of 24 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C/1(OC)\C=C/C(OC)(OC)\C=C\1)CCopyCopied ; (2)InChI: InChI=1/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3
(3)InChIKey: LJAWVXAZDYVFNU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H16O4/c1-11-9(12-2)5-7-10(13-3,14-4)8-6-9/h5-8H,1-4H3
(5)Std. InChIKey: LJAWVXAZDYVFNU-UHFFFAOYSA-N

Packinggroup: III
Flash Point: 106 °C
Safety Data
Hazard Symbols C: Corrosive
 

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