cis-4-Methylcyclohexanol

Basic Information

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CAS Number

7731-28-4

Molecular Formula

C7H14O

Molecular Weight

114.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-10°C

Boiling Point

171°C

Density

0,917 g/cm3

Water Solubility

Slightly soluble in water.

Flash Point

70°C

Refractive Index

1.4610

SMILES

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CC1CCC(CC1)O

InChI

InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7+

InChIKey

MQWCXKGKQLNYQG-KNVOCYPGSA-N

LogP

1.5574

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

62.8

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

Synonyms & References

English

UNII-1UK9W4X7H9
trans-4-methylcyclohexan-1-ol
A832098
Methyl cyclohexanol
4-methylcyclohexyl alcohol
cis-4-Methylcyclohexanol, 98%
UNII-JUW70559WV
p-Methylcyclohexanol
4-Methylcyclohexanol, trans-
M0354
trans-4-Methylcyclohexanol, 97%
4-Methylcyclohexanol, (E)-
FT-0619074
SCHEMBL11799
7731-28-4
MFCD00064171
4-Methylcyclohexanol, cis + trans, 98%
4-methyl-1-cyclohexanol
NS00022439
NSC 3714
4-Methylcyclohexanol, (Z)-
MFCD00064170
NS00081388
DTXSID301032962
BDBM36193
4-Methylcyclohexanol cis+trans
F8880-5214
AM9714
Cyclohexanol, 4-methyl-, trans-
CS-0180938
Q-200498

MDL Number

MFCD00064170

FAQ

What are the physical and chemical properties of cis-4-Methylcyclohexanol (CAS: 7731-28-4)?

cis-4-Methylcyclohexanol is a colorless liquid with a molecular weight of approximately 114.19 g/mol. It has a pungent odor and a specific gravity of 0.906. This compound is slightly soluble in water but miscible with most organic solvents. It is mildly reactive towards oxidizing agents and acidic conditions. Its boiling point is 182°C and melting point is -14°C.

How is cis-4-Methylcyclohexanol (CAS: 7731-28-4) typically synthesized?

cis-4-Methylcyclohexanol can be synthesized via reduction of 4-methylcyclohexanone using hydrogen gas in the presence of a catalyst like palladium on carbon. Another method involves the Wittig olefination of methyltriphenylphosphonium bromide with propargyl alcohol, followed by hydrogenation. High selectivity and good yields are typically achieved.

What industries use cis-4-Methylcyclohexanol (CAS: 7731-28-4)?

cis-4-Methylcyclohexanol is primarily used in the fragrance and perfume industry as a flavor and fragrance ingredient. It is also utilized in the pharmaceutical industry as a precursor for the synthesis of other molecules. Additionally, it has applications in the polymer industry as a plasticizer and in the production of coatings and adhesives.

What precautions should be taken when handling cis-4-Methylcyclohexanol (CAS: 7731-28-4)?

cis-4-Methylcyclohexanol should be handled in a well-ventilated area with appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from strong oxidizers and acids. In case of a spill, it should be cleaned up with appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed emergency procedures and handling instructions.