1,3-Cyclohexanediol Chemical Properties

Melting point:

30 °C

Boiling point:

246-247 °C(lit.)

Density 

0.9958 (rough estimate)

refractive index 

1.495-1.497

Flash point:

>230 °F

pka

14.70±0.40(Predicted)

form 

Viscous Liquid After Melting

color 

Clear slightly yellow

Water Solubility 

Soluble in water.

BRN 

2036654

InChI

InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2

InChIKey

RLMGYIOTPQVQJR-UHFFFAOYSA-N

SMILES

C1(O)CCCC(O)C1

CAS DataBase Reference

504-01-8(CAS DataBase Reference)

NIST Chemistry Reference

1,3-Cyclohexanediol(504-01-8)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37

Safety Statements 

24/25-26

WGK Germany 

3

HS Code 

29061900

MSDS

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

1,3-Cyclohexanediol Usage And Synthesis

Chemical Properties

clear slightly yellow viscous liquid after melting

Uses

1,3-Cyclohexanediol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Synthesis

General procedure: Example 3 To a reaction vessel, 510 mg (13.5 mmol) of sodium borohydride, 8 mL of tetrahydrofuran, 209 μL (1.63 mmol) of n-nonane, and 650 mg (6.8 mmol) of magnesium chloride were sequentially added, and the reaction mixture was stirred for 24 hours at room temperature. Subsequently, 9.8 mL of a tetrahydrofuran solution containing 1.11 g (9.9 mmol) of 1,3-cyclohexanedione was slowly added dropwise for 30 minutes. After the titration was completed, the reaction and post-treatment were carried out according to the method of Example 1. Upon completion of the reaction, the formation of cyclohexane-1,3-diol was confirmed by analysis in 97.5% yield. By-products included cyclohexanol (0.2%) and 2-cyclohexen-1-ol (1.2%).

References

[1] Patent: US2003/149293, 2003, A1
[2] Patent: US2003/149293, 2003, A1
[3] Patent: US2003/149293, 2003, A1
[4] Patent: US2003/149293, 2003, A1
[5] Patent: US2003/149293, 2003, A1

1,3-Cyclohexanediol(504-01-8)Related Product Information

• 1,3-CYCLOHEXADIENE
• 1,6-Hexanediol
• 1,3-Propanediol
• Estradiol
• 1,4-Butanediol
• Ethylene glycol
• Cyclohexanone
• 1,2-Hexanediol
• 1,3-Butanediol
• 2-Methyl-2,4-pentanediol
• 1,5-Pentanediol
• 1,2-Pentanediol
• 1,3-Cyclohexanedione
• 1,4-CYCLOHEXANEDIOL,CYCLOHEXANE-1,4-DIOL
• CYMARIN
• Inositol nicotinate
• rel-(1S*,2S*)-1,2-Cyclohexanediol,rel-(1S*,2S*)-Cyclohexane-1,2-diol,trans-cyclohexane-1,2-diol
• CYTOCHALASIN A