1,3-Cyclohexanedicarboxylic acid

CAS: 3971-31-1

Ref. 3D-FC30831

Product Information

• Name: 1,3-Cyclohexanedicarboxylic acid
• Synonyms: 1,3-Benzenedicarboxylic acid, hexahydro-, 1,3-Cyclohexanedicarboxylic acid,mixture of cis and trans, 3-Carboxycyclohexanecarboxylic acid, Cyclohexan-1,3-dicarboxylic acid, Cyclohexane-1,3-Dicarboxylic Acid, Hexahydroisophthalic acid, Isophthalic acid, hexahydro-
• CAS: 3971-31-1

Description

1,3-Cyclohexanedicarboxylic acid is an organic compound with the molecular formula C6H8O4. It is a dicarboxylic acid, which contains two carboxyl groups. The intramolecular hydrogen bonding interactions of 1,3-cyclohexanedicarboxylic acid are shown to be stronger than those of its ester analogue, ethyl acetate. The analytical method for 1,3-cyclohexanedicarboxylic acid involves the use of gas chromatography and mass spectrometry. This compound has been detected in urine samples of women who have polyvinyl chloride (PVC) water pipes in their homes or work environments. 1,3-Cyclohexanedicarboxylic acid has also been found to inhibit certain molecules that are responsible for the synthesis of nitrogen oxide gases such as nitric oxide and nitrogen dioxide.

• Brand: Biosynth

Chemical properties

• Molecular weight: 172.18 g/mol
• Formula: C₈H₁₂O₄
• Purity: Min. 95%
• 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)
• InChI key: InChIKey=XBZSBBLNHFMTEB-UHFFFAOYSA-N
• SMILES: O=C(O)C1CCCC(C(=O)O)C1