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933-40-4

Basic Information
CAS No.: 933-40-4
Name: 1,1-Dimethoxycyclohexane
Article Data: 114
Molecular Structure:
Molecular Structure of 933-40-4 (1,1-Dimethoxycyclohexane)
Formula: C8H16O2
Molecular Weight: 144.214
Synonyms: Cyclohexanone,dimethyl acetal (6CI,7CI,8CI);1,1-Dimethoxycyclohexane;Cyclohexanone dimethylketal;
Density: 0.92 g/cm3
Boiling Point: 162.3 °C at 760 mmHg
Flash Point: 40.6 °C
Appearance: COLORLESS LIQUID
Risk Codes: 10-18
Safety: 16-51
PSA: 18.46000
LogP: 1.93960
Synthetic route
67-56-1

methanol

108-94-1

cyclohexanone

933-40-4

cycloxexanone dimethyl ketal

Conditions
ConditionsYield
With trimethyl orthoformate at 40℃; under 6000480 Torr; for 8h;100%
With chloranil In acetonitrile for 0.5h; Irradiation;99%
With trimethyl orthoformate at 20℃; for 0.5h;98%
108-94-1

cyclohexanone

149-73-5

trimethyl orthoformate

933-40-4

cycloxexanone dimethyl ketal

Conditions
ConditionsYield
With tetra-N-butylammonium tribromide In methanol at 20℃; for 0.33h;99%
Nafion-H In tetrachloromethane98%
With lithium tetrafluoroborate In methanol for 0.333333h; Heating;98%
1825-61-2

Methoxytrimethylsilane

108-94-1

cyclohexanone

933-40-4

cycloxexanone dimethyl ketal

Conditions
ConditionsYield
trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78℃; for 3h;89%
trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78℃; for 3h;89%
With trimethylsilyl trifluoromethanesulfonate
67-56-1

methanol

111-71-7

heptanal

108-94-1

cyclohexanone

A

933-40-4

cycloxexanone dimethyl ketal

B

10032-05-0

1,1-dimethoxyheptane

Conditions
ConditionsYield
With CoCl2 for 3.5h; Heating;A n/a
B 88%
67-56-1

methanol

5817-68-5

cyclohexyl-carbamic acid methyl ester

933-40-4

cycloxexanone dimethyl ketal

Conditions
ConditionsYield
With tetraethylammonium tosylate electrolysis (15 F/mol, 0.5 A);69%
108-94-1

cyclohexanone

122-51-0

orthoformic acid triethyl ester

504-63-2

trimethyleneglycol

933-40-4

cycloxexanone dimethyl ketal

Conditions
ConditionsYield
Stage #1: cyclohexanone; orthoformic acid triethyl ester; trimethyleneglycol With zirconium(IV) chloride In dichloromethane at 20℃; for 1h;
Stage #2: With sodium hydroxide
55%
109-87-5

Dimethoxymethane

6651-36-1

1-(Trimethylsilyloxy)cyclohexene

A

933-40-4

cycloxexanone dimethyl ketal

B

58173-92-5

2-(methoxymethyl)cyclohexanone

Conditions
ConditionsYield
With 2,6-di-tert-butyl-pyridine; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 16℃; for 10h;A 20%
B 48%
67-56-1

methanol

108-94-1

cyclohexanone

A

933-40-4

cycloxexanone dimethyl ketal

B

627-93-0

hexanedioic acid dimethyl ester

C

23740-37-6

2-methoxycyclohex-2-en-1-one

Conditions
ConditionsYield
With cerium(IV) sulphate; oxygen at 50℃; for 8h; Oxidation; acetalization;A 38%
B 35%
C 7%
67-56-1

methanol

108-94-1

cyclohexanone

A

933-40-4

cycloxexanone dimethyl ketal

B

15753-47-6

1-(hydroxymethyl)cyclohexanol

Conditions
ConditionsYield
With titanium(IV) dichlorodiisopropylate at 20℃; for 72h; UV-irradiation; Inert atmosphere; Overall yield = 38 %;A 29%
B 9%
67-56-1

methanol

17497-53-9

1-iodo-1-cyclohexene

A

933-40-4

cycloxexanone dimethyl ketal

B

931-57-7

1-methoxy-cyclohex-1-ene

C

110-83-8

cyclohexene

Conditions
ConditionsYield
With zinc at 40℃; for 10h; Irradiation;A 8%
B 65 % Chromat.
C 27%
With zinc Product distribution; Further Variations:; Reagents; Irradiation; sonication;
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Specification

The IUPAC name of Cyclohexane,1,1-dimethoxy- is 1,1-dimethoxycyclohexane. With the CAS registry number 933-40-4, it is also named as Cyclohexanone, dimethyl acetal. In addition, its molecular formula is C8H16O2 and molecular weight is 144.21.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 5.7; (5)ACD/BCF (pH 7.4): 5.7; (6)ACD/KOC (pH 5.5): 120.94; (7)ACD/KOC (pH 7.4): 120.94; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 18.46Å2; (11)Index of Refraction: 1.435; (12)Molar Refractivity: 40.52 cm3; (13)Molar Volume: 155.2 cm3; (14)Polarizability: 16.06x10-24cm3; (15)Surface Tension: 28.2 dyne/cm; (16)Enthalpy of Vaporization: 38.25 kJ/mol; (17)Boiling Point: 162.3 °C at 760 mmHg; (18)Vapour Pressure: 2.84 mmHg at 25 °C.

Preparation of Cyclohexane,1,1-dimethoxy-: this chemical can be prepared by Cyclohexanone and Methanol.



This reaction needs I2. The reaction time is 1 hour. The yield is about 90%.

Uses of Cyclohexane,1,1-dimethoxy-: it can be used to produce 1-Methoxy-cyclohexene.



This reaction needs Benzoyl chloride and quinoline at temperature of 60 - 70 °C.

When you are using this chemical, please be cautious about it as the following: it is flammable. In use, it may form inflammable/explosive vapour-air mixture. When you are using it, please keep away from sources of ignition and use only in well ventilated areas.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C1(OC)CCCCC1
(2)InChI: InChI=1/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3
(3)InChIKey: XPIJMQVLTXAGME-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3
(5)Std. InChIKey: XPIJMQVLTXAGME-UHFFFAOYSA-N