Molecule structure of Methylcyclohexanone (CAS NO.1331-22-2) :

IUPAC Name: 4-methylcyclohexan-1-one 
Molecular Weight: 112.16958 g/mol
Molecular Formula: C₇H₁₂O 
Density: 0.912 g/cm³ 
Boiling Point: 163.7 °C at 760 mmHg 
Flash Point: 45.9 °C
Index of Refraction: 1.441
Molar Refractivity: 32.5 cm³
Molar Volume: 122.9 cm³
Polarizability: 12.88*10^-24 cm³
Surface Tension: 28.4 dyne/cm 
Enthalpy of Vaporization: 40.02 kJ/mol 
log P (octanol-water): 1.540 
Water Solubility: 2.15E+04 mg/L 
Vapor Pressure: 2.070 mm Hg 
Henry's Law Constant: 6.79E-05 atm-m³/mole 
Atmospheric OH Rate Constant: 1.71E-11 cm³/molecule-sec
XLogP3: 1.4
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 112.088815
MonoIsotopic Mass: 112.088815
Topological Polar Surface Area: 17.1
Heavy Atom Count: 8
Complexity: 86.6
Canonical SMILES: CC1CCC(=O)CC1
InChI: InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey: VGVHNLRUAMRIEW-UHFFFAOYSA-N
EINECS: 215-556-1
Product Categories: C7 to C8; Carbonyl Compounds; Ketones

Reported in EPA TSCA Inventory.

Moderately toxic by ingestion. Mildly toxic by skin contact. A toxic compound that can damage the kidneys and the liver. It is similar to cyclohexanol in its toxic action, although it is somewhat less active. Harmful exposure in industry is rare. Experimental animals can withstand prolonged exposures of 0.02–0.05% by volume in air. Flammable liquid when exposed to heat, sparks, or flame. Can react violently with HNO₃ and other oxidizers. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

Analytical Methods:For occupational chemical analysis use NIOSH: Methylcyclohexanone, 2521.
Hazard Codes: Xn
Risk Statements: 10-22
R10:Flammable. 
R22:Harmful if swallowed.
Safety Statements: 16 
S16:Keep away from sources of ignition.
RIDADR: UN 2297 3/PG 3
WGK Germany: 1
RTECS: GW1575000

DOT Classification:  3; Label: Flammable Liquid

For occupational chemical analysis use NIOSH: Methylcyclohexanone, 2521.

 Methylcyclohexanone (CAS NO.1331-22-2) is also called Metylocykloheksanon ; Metylocykloheksanon [Polish] ; Cyclohexanone, methyl- . Methylcyclohexanone (CAS NO.1331-22-2) is high toxic. It is flammable by fire, high temperature and strong oxidant. It will emit stimulation moke when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Methylcyclohexanone (CAS NO.1331-22-2) separate from fire, high temperature and strong oxidant.