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2-Methylcyclohexanone Structure

2-Methylcyclohexanone

Chemical Properties

Melting point -14 °C
Boiling point 162-163 °C (lit.)
Density  0.924 g/mL at 25 °C (lit.)
vapor pressure  1 at 20 °C (NIOSH, 1997)
refractive index  n20/D 1.448(lit.)
FEMA  3946 | 2-METHYLCYCLOHEXANONE
Flash point 116 °F
storage temp.  Sealed in dry,2-8°C
solubility  Soluble in alcohol, ether (Weast, 1986), and many other polar organic solvents including cyclohexanone.
form  Liquid
color  Clear colorless to very slightly yellow
Odor at 10.00 % in dipropylene glycol. minty peppermint cooling
Odor Type minty
biological source synthetic
explosive limit 1.2%(V)
Water Solubility  Insoluble in water. Soluble in methanol and diethyl ether.
JECFA Number 1102
BRN  506751
Dielectric constant 14.0(20℃)
Exposure limits ACGIH:TLV-TWA 20 ppm
OSHA:PEL-TWA 100 ppm (460 mg/m3)
NIOSH:REL-TWA 50 ppm; REL-STEL 75 ppm
InChI 1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
InChIKey LFSAPCRASZRSKS-UHFFFAOYSA-N
SMILES CC1CCCCC1=O
LogP 1.54 at 25℃
CAS DataBase Reference 583-60-8(CAS DataBase Reference)
NIST Chemistry Reference Cyclohexanone, 2-methyl-(583-60-8)
EPA Substance Registry System 2-Methylcyclohexanone (583-60-8)

Safety Information

Hazard Codes  Xn
Risk Statements  10-20-20/21/22
Safety Statements  25-36/37
RIDADR  UN 2297 3/PG 3
OEB A
OEL TWA: 50 ppm (230 mg/m3), STEL: 75 ppm (345 mg/m3) [skin]
WGK Germany  1
RTECS  GW1750000
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29142200
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Flam. Liq. 3
Hazardous Substances Data 583-60-8(Hazardous Substances Data)
Toxicity Acute oral LD50 for rats 2,140 mg/kg, rabbits 1 g/kg (quoted, RTECS, 1985).
IDLA 600 ppm

MSDS

Usage And Synthesis

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