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Cyclohexanone

Catalog Number
ACMA00016900
Product Name
Cyclohexanone
Category
Polymers
Description
Cyclohexanone appears as a colorless to pale yellow liquid with a pleasant odor. Less dense than water . Flash point 111°F. Vapors heavier than air. Used to make nylon, as a chemical reaction medium, and as a solvent.;Liquid; OtherSolid, Liquid;Liquid;Liquid;COLOURLESS OILY LIQUID WITH CHARACTERISTIC ODOUR.;Oily liquid; odour reminiscent of peppermint and acetone;Water-white to pale-yellow liquid with a peppermint- or acetone-like odor.;Water-white to pale-yellow liquid with a peppermint- or acetone-like odor.
IUPAC Name
cyclohexanone
Molecular Weight
98.14g/mol
Molecular Formula
C6H10O;C6H10O
Canonical SMILES
C1CCC(=O)CC1
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChI Key
JHIVVAPYMSGYDF-UHFFFAOYSA-N
Boiling Point
312.1 °F at 760 mm Hg (NTP, 1992);155.4 °C;155.6 °C @ 760 MM HG; 132.5 °C @ 400 MM HG; 110.3 °C @ 200 MM HG; 90.4 °C @ 100 MM HG; 77.5 °C @ 60 MM HG; 67.8 °C @ 40 MM HG; 52.5 °C @ 20 MM HG; 38.7 °C @ 10 MM HG; 26.4 °C @ 5 MM HG; 1.4 °C @ 1.0 MM HG;156 °C;312°F;312°F
Melting Point
3 °F (NTP, 1992);-31.0 °C;Mp -45 ° (-32 °);-31 °C;-31°C;-32.1 °C;-49°F;-49°F
Flash Point
111 °F (NTP, 1992);111 °F (44 °C) (closed cup);44 °C c.c.;146°F;111°F
Density
0.945 at 68 °F (USCG, 1999);d204 0.95;0.9421 @ 25 °C/4 °C; 0.9478 @ 20 °C/4 °C;Relative density (water = 1): 0.95;0.947-0.950;0.95;0.95
Solubility
50 to 100 mg/mL at 64° F (NTP, 1992);0.25 M;25 mg/mL at 25 °C;150 G/L IN WATER @ 10 °C; 50 G/L IN WATER @ 30 °C;SOL IN ACETONE; ETHYL ETHER; ETHANOL; WATER;SOLUBLE IN ALCOHOL, ETHER, AND OTHER COMMON ORGANIC SOLVENTS;25 mg/mL at 25 °C;Solubility in water, g/100ml at 20 °C: 8.7;water; ether; chloroform; organic solvents;Miscible at room temperature (in ethanol);15%
Color/Form
OILY LIQUID;WATER-WHITE TO PALE YELLOW LIQUID;Water-white to pale-yellow liquid ...
Complexity
68.2
Corrosivity
Corrosive
Covalently-Bonded Unit Count
1
EC Number
203-631-1;257-058-7
Exact Mass
98.073165g/mol
Formal Charge
0
Heat of Vaporization
45.06 kJ/mol @ 25 °C
Heavy Atom Count
7
ICSC Number
0425
Log P
0.81 (LogP);0.81;Log Kow= 0.81;0.81;0.81
MeSH Entry Terms
cyclohexanone
Monoisotopic Mass
98.073165g/mol
NSC Number
5711
Odor
ODOR REMINISCENT OF PEPPERMINT & ACETONE;... Peppermint- or acetone-like odor.
Other Experimental
PERCENT IN SATURATED AIR: 0.60; 1 MG/L= 249 PPM @ 25 °C, 760 MM HG; 1 PPM= 4.02 MG/CU M;SOLUBILITY OF WATER IN CYCLOHEXANONE: 87 G/L AT 20 °C.
Refractive Index
n20D 1.4500;INDEX OF REFRACTION: 1.4507 @ 20 °C;1.447-1.453
Rotatable Bond Count
0
RTECS Number
GW1050000
UNII
5QOR3YM052
UN Number
1915;1915;1915;1915;1915
Vapor Density
3.4 (NTP, 1992) (Relative to Air);3.4 (air= 1);Relative vapor density (air = 1): 3.4;3.4
Vapor Pressure
5.2 mm Hg at 77 °F ; 10 mm Hg at 101.7° F (NTP, 1992);4.33 mmHg;5 mm Hg at 26.4 °C;Vapor pressure, Pa at 20 °C: 500;5 mmHg;5 mmHg
Viscosity
2.2 mPa.s (=cP) @ 25 °C
XLogP3
0.8
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