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Key Documents

330612

Sigma-Aldrich

3-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans

98%

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About This Item

Linear Formula:
CH3C6H10CO2H
CAS Number:
Molecular Weight:
142.20
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.459 (lit.)

density

0.989 g/mL at 25 °C (lit.)

SMILES string

CC1CCCC(C1)C(O)=O

InChI

1S/C8H14O2/c1-6-3-2-4-7(5-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)

InChI key

CIFSKZDQGRCLBN-UHFFFAOYSA-N

Application

3-Methyl-1-cyclohexanecarboxylic acid was employed as a model naphthenic acid for quantitative determination of naphthenic acids in water by liquid chromatography-accurate mass time-of-flight mass spectrometry. It was also used in the synthesis of substituted cyclohexyl carbonyl chlorides.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)


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