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W394602

Sigma-Aldrich

2-Methylcyclohexanone

≥98%

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
FEMA Number:
3946
Beilstein/REAXYS Number:
506751
EC Number:
209-513-6
MDL number:
MFCD00001635
UNSPSC Code:
12164502
PubChem Substance ID:
24901947
Flavis number:
7.179
NACRES:
NA.21

biological source

synthetic

agency

meets purity specifications of JECFA

assay

≥98%

refractive index

n20/D 1.448 (lit.)

bp

162-163 °C (lit.)

density

0.924 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

cooling; minty; peppermint

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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General description

2-Methylcyclohexanone is a cyclic ketone that is reported to occur in mint and horse chestnut.

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Acaricidal potency of active constituent isolated from Mentha piperita and its structural analogs against pyroglyphid mites.
Lee HW & Lee HS.
Journal of the Korean Society for Applied Biological Chemistr, 58(4), 597-602 (2015)
Volatiles of common horsechestnut (Aesculus hippocastanum L.)(Hippocastanaceae) peels and seeds.
Buchbauer G, et al.
J. Essent. Oil Res., 6(5), 507-511 (1994)
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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