173614

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: 506746
• EC Number: 209-665-3
• MDL number: MFCD00001643
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850461
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.4443 (lit.)
• bp: 169-171 °C (lit.)
• density: 0.914 g/mL at 25 °C (lit.)
• functional group: ketone
• 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

Application

4-Methylcyclohexanone was used in the synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H302
• Precautionary Statements: P210 - P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 118.4 °F - closed cup
• Flash Point(C): 48 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves