3-Methylcyclohexanol Chemical Properties

Melting point:

-74 °C

Boiling point:

163 °C(lit.)

Density 

0.914 g/mL at 25 °C(lit.)

vapor pressure 

1.7 hPa (25 °C)

refractive index 

n20/D 1.458(lit.)

Flash point:

145 °F

storage temp. 

Store below +30°C.

Water Solubility 

Slightly soluble in water

form 

clear liquid

pka

15.32±0.40(Predicted)

color 

Colorless to Almost colorless

Odor

at 100.00 %. dry solvent musty rummy fusel fruity

Odor Type

solvent

explosive limit

1.3%(V)

BRN 

2036372

Dielectric constant

12.300000000000001

InChI

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

InChIKey

HTSABYAWKQAHBT-UHFFFAOYSA-N

SMILES

OC1CC(CCC1)C

LogP

1.818 (est)

CAS DataBase Reference

591-23-1(CAS DataBase Reference)

EPA Substance Registry System

Cyclohexanol, 3-methyl- (591-23-1)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20

Safety Statements 

24/25

WGK Germany 

1

RTECS 

GW0200000

Autoignition Temperature

295 °C

TSCA 

TSCA listed

HS Code 

2906 12 00

Storage Class

10 - Combustible liquids

Hazard Classifications

Acute Tox. 4 Inhalation

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-Methylcyclohexanol Usage And Synthesis

Chemical Properties

CLEAR COLOURLESS TO PALE YELLOW LIQUID

Uses

3-Methylcyclohexanol is a cyclic secondary alcohol serves primarily as an intermediate in the synthesis of ketones, such as 3-methylcyclohexanone, a precursor for key compounds like isophorone. Its reactivity allows it to undergo transformations like oxidation, dehydration, and substitution, enabling the synthesis of diverse compounds.

Synthesis Reference(s)

Tetrahedron Letters, 24, p. 4955, 1983 DOI: 10.1016/S0040-4039(01)99820-X

Purification Methods

Dry 3-methylcyclohexanol with Na2SO4 and fractionate it under vacuum. Note: The cis-isomer has b 173o/760mm, and the trans-isomer has b 168-169o/760mm. [Eliel & Haber J Org Chem 23 2041 1958, Beilstein 6 IV 102.]

3-Methylcyclohexanol(591-23-1)Related Product Information

• DIHYDROCARVEOL
• APOCHOLIC ACID
• CYMARIN
• DIGOXIN
• Sodium cholate
• Prednisolone
• 5a-Androstane-3a,17b-diol
• 3,4-DIMETHYLCYCLOHEXANOL
• 3,3,5,5-TETRAMETHYLCYCLOHEXANOL
• (-)-MENTHOXYACETIC ACID
• Sodium deoxycholate
• L-MENTHYL ACETATE
• Allopregnanolone
• 3-Methylcyclohexanol
• (-)-DIHYDROCARVYL ACETATE
• 2,3-DIMETHYLCYCLOHEXANOL
• 11ALPHA-HYDROXYPROGESTERONE
• Androsterone