1,1-Diethoxycyclohexane

Basic Information

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CAS Number

1670-47-9

Molecular Formula

C10H20O2

Molecular Weight

172.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

76-78 °C/20 mmHg

Refractive Index

n20/D 1.4360(lit.)

SMILES

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CCOC1(CCCCC1)OCC

InChI

InChI=1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3

InChIKey

MWUDABUKTZAZCX-UHFFFAOYSA-N

LogP

2.719800000000001

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

109

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

1,1-Diethoxycyclohexane
CYCLOHEXANONE DIETHYL ACETAL
Cyclohexanone diethyl ketal
1,1-diethoxy-cyclohexan
AKOS 61
RHUMACETAL
1,1-DIETHOXYCYCLOHEXANONE
Cyclohexane, 1,1-diethoxy-
1,1-Diethoxycyclohexane,98%
1,1-DIETHOXYCYCLOHEXANE
CYCLOHEXANONE DIETHYL KETAL

MDL Number

MFCD00037723

Customs Code

2911000000

FAQ

What are the physical and chemical properties of 1,1-Diethoxycyclohexane (CAS: 1670-47-9)?

1,1-Diethoxycyclohexane (CAS: 1670-47-9) is a colorless, flammable liquid with a molecular weight of approximately 150.23 g/mol. It has a low solubility in water but is soluble in organic solvents. Chemically, it is an ether derivative of cyclohexane. It is moderately reactive, particularly under strong acid or base conditions. It crystallizes in the orthorhombic system at low temperatures.

How is 1,1-Diethoxycyclohexane (CAS: 1670-47-9) typically synthesized?

1,1-Diethoxycyclohexane (CAS: 1670-47-9) is typically synthesized via the Grignard reaction of cyclohexanone with diethyl ether. The reaction is usually carried out in anhydrous ether under stirring conditions. The yield is generally high, and the product is isolated by distillation. Catalysts such as magnesium are used to enhance the reactivity and selectivity of the reaction.

What industries use 1,1-Diethoxycyclohexane (CAS: 1670-47-9)?

1,1-Diethoxycyclohexane (CAS: 1670-47-9) is used in the pharmaceutical industry for the synthesis of various drugs, particularly those requiring cyclohexane derivatives. It is also used in the polymer industry to modify the properties of polymers and in the production of sensors and semiconductors for specific electronic applications.

What precautions should be taken when handling 1,1-Diethoxycyclohexane (CAS: 1670-47-9)?

When handling 1,1-Diethoxycyclohexane (CAS: 1670-47-9), ensure the use of appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store it in a cool, dry place away from heat sources and incompatible materials. Use a fume hood during operations to minimize inhalation risks. In case of spill, contain the spill and clean up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.