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W394718

3-Methylcyclohexanone

≥97%

Synonym(s):

Tetrahydro-m-cresol

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About This Item

Linear Formula:
CH3C6H9(=O)
CAS Number:
591-24-2
Molecular Weight:
112.17
Flavis number:
7.180
PubChem Substance ID:
24901948
UNSPSC Code:
12164502
FEMA Number:
3947
EC Number:
209-710-7
MDL number:
MFCD00001639
Beilstein/REAXYS Number:
969804
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biological source

synthetic

assay

≥97%

refractive index

n20/D 1.446 (lit.)

bp

169-170 °C (lit.)

density

0.914 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

medicinal; minty

SMILES string

CC1CCCC(=O)C1

InChI

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

InChI key

UJBOOUHRTQVGRU-UHFFFAOYSA-N

General description

Natural occurrence: Peppermint oil, cornmint oil, penny royal oil, buchu oil and heater beef fat.

Application

3-Methylcyclohexanone may be used as a reference standard for the identification and quantification of volatile components of essential oils of Passiflora hybrids by gas chromatography/flame ionization detector (GC/FID).

Biochem/physiol Actions

Odor at 1.0%
Taste at 15 ppm

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

118.4 °F - closed cup

flash_point_c

48 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBD6410V
STBD4376V
STBC8092V
STBC7460V
STBC3340V

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Original Research Chemical composition of the volatile oil from flowers and leaves of new Passiflora hybrids.
Calevo J, et al.
International Journal of Applied Research in Natural Products, 9(4), 21-27 (2008)
Mosciano, G.
Perfumer & Flavorist, 30, 56-56 (2005)
Organoleptic Characteristics of Flavor Materials
Mosciano, G.
Perfumer & Flavorist, 30, 41-41 (2005)