101834

Cyclohexanecarboxylic acid

98%

• Synonym(s): Hexahydrobenzoic acid
• Linear Formula: C₆H₁₁CO₂H
• CAS Number: 98-89-5
• Molecular Weight: 128.17
• Beilstein: 970529
• EC Number: 202-711-3
• MDL number: MFCD00001461
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846554
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: solid
• refractive index: n20/D 1.461 (lit.)
• bp: 232-233 °C (lit.)
• mp: 29-31 °C (lit.)
• solubility: H₂O: soluble 0.201g in 100g at 15 °C; organic solvents: soluble
• density: 1.033 g/mL at 25 °C (lit.)
• functional group: carboxylic acid
• SMILES string: OC(=O)C1CCCCC1
• InChI: 1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
• InChI key: NZNMSOFKMUBTKW-UHFFFAOYSA-N

Description

Application

Cyclohexanecarboxylic acid was used in a study to determine complex binding constants of the three native cyclodextrins with seven cyclohexane derivatives.

Biochem/physiol Actions

Cyclohexanecarboxylic acid undergoes microbial degradation by a strain of Antherobacter to form para-hydroxybenzoic acid. Cyclohexanecarboxylic acid undergoes aromatization and converts to Hippuric acid in rat liver extracts in vitro. Cyclohexanecarboxylic acid is the starting reagent for the synthesis of polyketide-type antibiotics, Phoslactomycins.

Preparation Note

0.201g of cyclohexanecarboxylic acid dissolves in 100g water at 15°C.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H319
• Precautionary Statements: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves