44479

2-Methylcyclohexanone

analytical standard

• Synonym(s): Tetrahydro-o-cresol
• 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: 12164502
• PubChem Substance ID: 329756509
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥98.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• refractive index: n20/D 1.447-1.449; n20/D 1.448 (lit.)
• bp: 162-163 °C (lit.)
• density: 0.924 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; food and beverages; personal care
• format: neat
• 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

Description

General description

2-Methylcyclohexanone, a cyclic ketone, belongs to the class of volatile organic compounds (VOCs). It is generally present as a flavor/fragrance component in food and beverage products.[1][2]

Application

2-Methylcyclohexanone may be used as an analytical standard for the determination of the analyte in alcoholic beverages,[1] roasted coffee,[2] commercial chewing tobaccos,[3] and air samples[4] by various chromatography techniques.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226 - H332
• pcodes: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_c: 48 °C