2-Methylcyclohexanone (C7H12O)

2-Methylcyclohexanone (C7H12O; CAS 583-60-8) is a practical retrosynthesis target. 2-Methylcyclohexanone presents a C7 framework. Open AI route search in one click below.

Target: 2-Methylcyclohexanone
CAS: 583-60-8
Formula: C7H12O
Approx. MW: 112.17
SMILES: CC1CCCCC1=O
PubChem CID: 11419
Approx. carbons: C7

2-Methylcyclohexanone structure

Properties

IUPAC name: 2-methylcyclohexan-1-one
Common names: 2-METHYLCYCLOHEXANONE; 583-60-8; 2-methylcyclohexan-1-one; o-Methylcyclohexanone; 2-Methyl-1-cyclohexanone; Cyclohexanone, 2-methyl-; 2-Metilcicloesanone; alpha-Methylcyclohexanone; Methylanon; Sexton B
Molecular weight: 112.17
Exact mass: 112.09
InChIKey: LFSAPCRASZRSKS-UHFFFAOYSA-N
Melting point: -6.8 °F (USCG, 1999)
Boiling point: 329 °F at 760 mmHg (USCG, 1999)
Density: 0.93 (USCG, 1999) - Less dense than water; will float

View on PubChem

2-Methylcyclohexanone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Methylcyclohexanone?

2-Methylcyclohexanone has molecular formula C7H12O. Molecular weight about 112.17 g·mol⁻¹.

What is the CAS number of 2-Methylcyclohexanone?

The CAS Registry Number for 2-Methylcyclohexanone is 583-60-8.

Run AI retrosynthesis for 2-Methylcyclohexanone Target catalog AI tools overview

Open the planner with 2-Methylcyclohexanone preloaded, then keep routes that match CAS 583-60-8.

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.