W394718

3-Methylcyclohexanone

≥97%

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

Properties

• 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

Description

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).[1]

Biochem/physiol Actions

Odor at 1.0%

Taste at 15 ppm

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: 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