W394602
2-Methylcyclohexanone
≥98%
Synonym(s):
Tetrahydro-o-cresol
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About This Item
Linear Formula:
CH3C6H9(=O)
CAS Number:
Molecular Weight:
112.17
Flavis number:
7.179
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
3946
NACRES:
NA.21
EC Number:
209-513-6
MDL number:
Beilstein/REAXYS Number:
506751
Organoleptic:
cooling; minty; peppermint
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
biological source
synthetic
Quality Level
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
General description
2-Methylcyclohexanone is a cyclic ketone that is reported to occur in mint and horse chestnut.
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
118.4 °F
flash_point_c
48 °C
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| W394602-1KG | 04061837906244 |
| W394602-100G | 04061837906237 |
| W394602-SAMPLE | 04061837906251 |