4-Hydroxycyclohexanecarboxylic acid Chemical Properties

Melting point:

120 °C

Boiling point:

307.9±35.0 °C(Predicted)

Density 

1.246±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

almost transparency in Methanol

form 

powder to crystal

pka

4.72±0.10(Predicted)

color 

White to Almost white

InChI

InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)

InChIKey

HCFRWBBJISAZNK-UHFFFAOYSA-N

SMILES

C1(C(O)=O)CCC(O)CC1

CAS DataBase Reference

17419-81-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38-41

Safety Statements 

26-36/37/39-39

HS Code 

2918199890

4-Hydroxycyclohexanecarboxylic acid Usage And Synthesis

Chemical Properties

White crystal or colorless transparent viscous liquid

Uses

4-hydroxycyclohexanecarboxylic acid be used as organic intermediates.

Definition

ChEBI: 4-Hydroxycyclohexylcarboxylic acid is a hydroxy monocarboxylic acid.

Synthesis

The general procedure for the synthesis of cis-4-hydroxycyclohexanecarboxylic acid from methyl cis-4-hydroxycyclohexanecarboxylate was as follows: 20 g of methyl cis-4-hydroxycyclohexanecarboxylate was dissolved in 80 mL of methanol and cooled in an ice water bath. A 5 mol/L sodium hydroxide solution of 40 mL was slowly added, and after the drop was completed, the reaction mixture was stirred at room temperature overnight. After the reaction was completed, 150 mL of water was added to dilute it. The mixture was extracted twice with ethyl acetate and the organic phase was discarded. The aqueous phase was adjusted to pH 3 with 1 mol/L HCl and extracted twice with 50 mL of ethyl acetate to combine the organic phases. The organic phase was washed twice with saturated saline in turn, dried and decolorized. After filtration, the ethyl acetate was concentrated under reduced pressure to recover the ethyl acetate, and 16 g of white solid product was obtained in 90% yield.

IC 50

Human Endogenous Metabolite

References

[1] Patent: CN105061424, 2016, B. Location in patent: Paragraph 0029; 0031

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