W394807

4-Methylcyclohexanone

≥99%

• Synonym(s): Tetrahydro-p-cresol
• Linear Formula: CH₃C₆H₉(=O)
• CAS Number: 589-92-4
• Molecular Weight: 112.17
• FEMA Number: 3948
• Beilstein/REAXYS Number: 506746
• EC Number: 209-665-3
• MDL number: MFCD00001643
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901949
• NACRES: NA.21

Properties

• biological source: synthetic
• reg. compliance: FDA 21 CFR 117
• assay: ≥99%
• refractive index: n20/D 1.4443 (lit.)
• bp: 169-171 °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: musty; animal
• SMILES string: CC1CCC(=O)CC1
• InChI: 1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
• InChI key: VGVHNLRUAMRIEW-UHFFFAOYSA-N

Description

General description

4-Methylcyclohexanone is a cyclic flavor ketone that is reported to be present in volatile oil of roasted sesame seeds.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302
• pcodes: P210 - P233 - P240 - P241 - P242 - P301 + P312
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 118.4 °F - closed cup
• flash_point_c: 48 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter