1,4-Cyclohexanedicarboxylic acid Chemical Properties

Melting point:

164-167 °C(lit.)

Boiling point:

262.49°C (rough estimate)

Density 

1.2104 (rough estimate)

refractive index 

1.4450 (estimate)

Flash point:

235°C

storage temp. 

Sealed in dry,Room Temperature

form 

Powder

pka

4.38±0.10(Predicted)

color 

White to off-white

Water Solubility 

SOLUBLE

BRN 

1870377

InChI

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

InChIKey

PXGZQGDTEZPERC-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

1076-97-7(CAS DataBase Reference)

NIST Chemistry Reference

1,4-Cyclohexanedicarboxylic acid(1076-97-7)

EPA Substance Registry System

1,4-Cyclohexanedicarboxylic acid (1076-97-7)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36

Safety Statements 

26-36-24/25

WGK Germany 

3

RTECS 

GU9060000

TSCA 

Yes

HS Code 

29172090

MSDS

• Language:English Provider:1,4-Cyclohexanedicarboxylic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1,4-Cyclohexanedicarboxylic acid Usage And Synthesis

Chemical Properties

white fine crystalline powder

Uses

1,4-Cyclohexanedicarboxylic acid may be used in the synthesis of:

• polyesters
• polyamides
• poly(butylene adipate-co-butylene 1,4-cyclohexanedicarboxylate) copolyester
• various polyester polyols

Definition

ChEBI: 1,4-cyclohexanedicarboxylic acid is a dicarboxylic acid that is cyclohexane substituted by carboxy groups at positions 1 and 4.

General Description

1,4-Cyclohexanedicarboxylic acid (1,4-CHDA) has cyclohexane based structure. CHDA has better weatherability, higher impact strength, and faster stress relaxation. CHDA exhibits three isomeric forms:

• axial, axial (a,a) trans-isomer
• equatorial, equatorial (e,e) trans-isomer
• a,e cis-isomer

Flammability and Explosibility

Non flammable

Synthesis

The general procedure for synthesizing cis-1,4-cyclohexanedicarboxylic acid from terephthalic acid was as follows: 200 g of terephthalic acid, 15 g of the Pd-Pt/C catalyst described in Examples 1 to 14 and 1000 g of water were added to an autoclave, and stirring was initiated. The reaction system was first purged with nitrogen three times, followed by replacement with hydrogen three times. The hydrogen pressure was adjusted to 4 MPa and the reaction temperature was kept stable at 200 °C, and the hydrogen was continuously supplied for the reaction for 3 hours. After the reaction was completed, the catalyst was removed by filtration while hot. The filtrate was cooled and filtered again to collect the filter cake. The filter cake was dried at 120 °C to obtain the solid product. The solid product was analyzed by liquid chromatography to determine the contents of 1,4-cyclohexanedicarboxylic acid and trans-1,4-cyclohexanedicarboxylic acid therein, from which the yield of 1,4-cyclohexanedicarboxylic acid and the selectivity of trans-1,4-cyclohexanedicarboxylic acid were calculated and the results are recorded in Table 2.

References

[1] Patent: CN103769089, 2016, B. Location in patent: Paragraph 0029; 0030
[2] RSC Advances, 2017, vol. 7, # 30, p. 18178 - 18188
[3] Patent: CN105237341, 2016, A. Location in patent: Paragraph 0014
[4] Patent: KR2017/36493, 2017, A. Location in patent: Paragraph 0057; 0058; 0059
[5] Patent: KR2018/35585, 2018, A. Location in patent: Paragraph 0117-0121; 0145; 0146

1,4-Cyclohexanedicarboxylic acid(1076-97-7)Related Product Information

• Bis(2-ethylhexyl) phthalate
• Isophthalic acid
• Phthalic acid
• Dimethyl phthalate
• Diethyl azodicarboxylate
• 1,4-Cyclohexanedimethanol
• Cyclohexane
• Potassium hydrogen phthalate
• Methylcyclohexane
• DIMETHYL TRANS-1,4-CYCLOHEXANEDICARBOXYLATE
• Dimethyl 1,4-cyclohexanedicarboxylate
• DIETHYL 2,5-DIOXOBICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE
• DIMETHYL 1,4-CUBANEDICARBOXYLATE
• 1,1-Cyclohexanedicarboxylic acid, 95%
• Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid dianhydride
• trans-1,4-cyclohexanedicarboxybic acid
• esculentoside E
• CIS-1,4-CYCLOHEXANEDICARBOXYBIC ACID