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Merck
CN

41611

Cyclohexanecarboxylic acid

analytical standard

Synonym(s):

Hexahydrobenzoic acid

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About This Item

Linear Formula:
C6H11CO2H
CAS Number:
98-89-5
Molecular Weight:
128.17
EC Number:
202-711-3
UNSPSC Code:
12352200
NACRES:
NA.24
Beilstein/REAXYS Number:
970529
MDL number:
MFCD00001461

Key Documents

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Product Name

Cyclohexanecarboxylic acid, analytical standard

InChI key

NZNMSOFKMUBTKW-UHFFFAOYSA-N

InChI

1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

SMILES string

OC(=O)C1CCCCC1

grade

analytical standard

assay

≥97.5% (GC)
97.5-102.5% (T)

shelf life

limited shelf life, expiry date on the label

refractive index

n20/D 1.461 (lit.)

bp

232-233 °C (lit.)

mp

29-31 °C (lit.)

density

1.033 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

Quality Level

100

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Application

Cyclohexanecarboxylic acid may be used as an analytical standard for the determination of the analyte in wine and other alcoholic beverages, edible salts and high-salinity foods, and ethanolic extract of Centella asiatica by various analytical techniques.

General description

Cyclohexanecarboxylic acid, the saturated analog of benzoic acid, is categorized under the family of volatile organic compounds (VOCs). It is typically used as a flavoring ingredient.

pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 2

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH1563
BCCC1626
BCBT1654

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Determination of 2-, 3-, 4-methylpentanoic and cyclohexanecarboxylic acids in wine: Development of a selective method based on solid phase extraction and gas chromatography-negative chemical ionization mass spectrometry and its application to different wines and alcoholic beverages
Gracia-Moreno E, et al.
Journal of Chromatography A, 1381, 210-218 (2015)
Essentials of organic chemistry: for students of pharmacy, medicinal chemistry and biological chemistry, 29, 328-334 (2013)
Rapid determination of volatile organic acids in edible salt and high-salinity food by direct analysis in real time mass spectrometry
Fang P, et al.
International Journal of Mass Spectrometry, 444, 116166-116166 (2019)
Phytochemistry, in vitro free radical scavenging, chelating and toxicity of Centela asiatica L.(Apiaceae) ethanolic leaf extract
Ghosh K and Indra N
International Journal of Pharmaceutical Sciences Review and Research, 29, 328-334 (2014)

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