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101834 Sigma-Aldrich

Cyclohexanecarboxylic acid

98%

Synonym: Hexahydrobenzoic acid

  • CAS Number 98-89-5

  • Linear Formula C6H11CO2H

  • Molecular Weight 128.17

  •  Beilstein/REAXYS Number 970529

  •  EC Number 202-711-3

  •  MDL number MFCD00001461

  •  PubChem Substance ID 24846554

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Properties

Related Categories Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
Quality Level   100
assay   98%
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.)
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.

Packaging

5, 100, 500 g in glass bottle

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 & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
2
RTECS 
GU8370000
Flash Point(F) 
230 °F
Flash Point(C) 
110 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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