Product Name
4-METHYLCYCLOHEXANONE
Category
Heterocyclic Organic Compound
Synonyms
Tetrahydro-p-cresol
IUPAC Name
4-Methylcyclohexan-1-one
Canonical SMILES
CC1CCC(=O)CC1
InChI
InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChI Key
VGVHNLRUAMRIEW-UHFFFAOYSA-N
Boiling Point
169-171 °C(lit.)
Density
0.914 g/mL at 25 °C(lit.)
Solubility
Insoluble in water, soluble in oils
Appearance
Clear colorless to slightly yellow liqiud
Storage
Store below +30 °C
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
Monoisotopic Mass
112.088815002
Refractive Index
n20/D 1.4443(lit.)
Topological Polar Surface Area
17.1 Ų
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