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M38400

Sigma-Aldrich

2-Methylcyclohexanone

99%

Synonym(s):

Tetrahydro-o-cresol

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About This Item

Linear Formula:
CH3C6H9(=O)
CAS Number:
583-60-8
Molecular Weight:
112.17
Beilstein/REAXYS Number:
506751
EC Number:
209-513-6
MDL number:
MFCD00001635
UNSPSC Code:
12352100
PubChem Substance ID:
24896879
NACRES:
NA.22

Quality Level

100

assay

99%

form

liquid

refractive index

n20/D 1.448 (lit.)

bp

162-163 °C (lit.)

density

0.924 g/mL at 25 °C (lit.)

SMILES string

CC1CCCCC1=O

InChI

1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3

InChI key

LFSAPCRASZRSKS-UHFFFAOYSA-N

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H332

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

118.4 °F

flash_point_c

48 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Halis T Balaydın et al.
Bioorganic & medicinal chemistry letters, 22(3), 1352-1357 (2012-01-11)
The Naturally occurring novel cyclohexanonyl bromophenol 2(R)-2-(2,3,6-tribromo-4,5-dihydroxybenzyl)cyclohexanone (4) was synthesized as a racemic compound. Cyclohexylphenyl methane derivatives (10-17) with Br, OMe, CO, and OH were also obtained. Inhibition of four human carbonic anhydrase (hCA, EC 4.2.1.1) isozymes I, II, IV

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