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101834

Cyclohexanecarboxylic acid

Name: Cyclohexanecarboxylic acid
Brand: ALDRICH

98%

Synonym(s):

Hexahydrobenzoic acid

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About This Item

Linear Formula:

C₆H₁₁CO₂H

CAS Number:

98-89-5

Molecular Weight:

128.17

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24846554

EC Number:

202-711-3

Beilstein/REAXYS Number:

970529

MDL number:

MFCD00001461

Assay:

98%

Form:

solid

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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.

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pictograms

GHS07

signalword

Warning

hcodes

H302,H319

pcodes

P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Binding of cyclodextrins to alicyclic and aromatic substrates: complex formation of alpha-, beta-, and gamma-cyclodextrins with substituted cyclohexanecarboxylic acids and phenylalkanoic acids.

A Gadre et al.

Journal of pharmaceutical sciences, 86(2), 236-243 (1997-02-01)

Complex binding constants of the three native cyclodextrins with seven cyclohexane derivatives (all possessing the carboxylic acid group) and with the series C6H5(CH2)nCOOH (n = 0 to 4) were measured in aqueous solution at 25 degrees C by potentiometry and

Biosynthesis of phoslactomycins: cyclohexanecarboxylic acid as the starter unit.

Sekiyama Y, et al.

Tetrahedron, 59(38), 7465-7471 (2003)

The microbial degradation of cyclohexanecarboxylic acid: a pathway involving aromatization to form p-hydroxybenzoic acid.

Blakley ER.

Canadian Journal of Microbiology, 20(10), 1297-1306 (1974)

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Global Trade Item Number

SKU	GTIN
101834-100G	04061838668547
101834-5G	04061838668639
101834-500G	04061838668561