1,3-Cyclohexanedicarboxylic acid Chemical Properties

Melting point:

132-141 °C(lit.)

Boiling point:

332.4±25.0 °C(Predicted)

Density 

1.314±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

4.32±0.13(Predicted)

color 

White to Almost white

InChI

InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)

InChIKey

XBZSBBLNHFMTEB-UHFFFAOYSA-N

SMILES

C1(C(O)=O)CCCC(C(O)=O)C1

CAS DataBase Reference

3971-31-1(CAS DataBase Reference)

EPA Substance Registry System

1,3-Cyclohexanedicarboxylic acid (3971-31-1)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38-41

Safety Statements 

26-37/39

WGK Germany 

3

HS Code 

29172090

MSDS

• Language:English Provider:SigmaAldrich

1,3-Cyclohexanedicarboxylic acid Usage And Synthesis

Uses

1,3-Cyclohexanedicarboxylic acid can be used in the synthesis of organic materials and liquid crystal materials.

Synthesis

1. To a methanol (2.8 L) suspension containing isophthalic acid (500 g, 3 mol), 5% rhodium/alumina catalyst (50 g) and acetic acid (150 mL) were added sequentially. 2. The reaction mixture was subjected to a hydrogen atmosphere (50 psi) and shaken overnight at room temperature. 3. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth pad to remove the catalyst. 4. Fresh 5% rhodium/alumina catalyst (25 g) was added to the filtrate. Fresh 5% rhodium/alumina catalyst (25 g) was added to the filtrate and the reaction was again shaken under hydrogen atmosphere (50 psi) for 24 h. 5. At the end of the reaction, the final reaction mixture was filtered through a pad of diatomaceous earth. 6. The filtrate was concentrated under reduced pressure to give 493 g of 1,3-cyclohexanedicarboxylic acid as white powder in 96.3% yield. 7. The product has a melting point of 163-165 °C. The melting point of the product was 163-165°C.

References

[1] Patent: US2003/100576, 2003, A1
[2] Patent: US2003/100576, 2003, A1
[3] Patent: US2004/10005, 2004, A1. Location in patent: Page 18
[4] Patent: JP2004/509897, 2004, A. Location in patent: Page 45
[5] Patent: US2004/10005, 2004, A1. Location in patent: Page 22

1,3-Cyclohexanedicarboxylic acid(3971-31-1)Related Product Information

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