Cyclohexanone - Materials / Alfa Chemistry

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Cyclohexanone

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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%

Application

Cyclohexanone is a crucial chemical compound with a peppermint-like odor, primarily serving as an essential building block for various organic syntheses. Predominantly utilized in the production of nylon intermediates such as adipic acid and caprolactam, cyclohexanone plays a vital role in the nylon manufacturing industry. Beyond nylon, it finds application as a solvent for numerous substances, including nitrocellulose, cellulose acetate, and resins, as well as in the creation of cyclohexanone resins. It is also employed in the manufacture of paints, dyes, pharmaceuticals, coatings, films, soaps, and certain pesticides. Hence, cyclohexanone contributes significantly to diverse industrial sectors, particularly in producing materials that enhance everyday products.

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

EC Number

203-631-1;257-058-7

Exact Mass

98.073165g/mol

Formal Charge

Heat of Vaporization

45.06 kJ/mol @ 25 °C

Heavy Atom Count

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

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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