C102180

Cyclohexanone

ReagentPlus^®, 99.8%

• Synonym(s): pimelic ketone
• Linear Formula: C₆H₁₀(=O)
• CAS Number: 108-94-1
• Molecular Weight: 98.14
• Beilstein: 385735
• EC Number: 203-631-1
• MDL number: MFCD00001625
• UNSPSC Code: 12352100
• PubChem Substance ID: 24892304
• NACRES: NA.21

Properties

• vapor density: 3.4 (vs air)
• Quality Level: 200
• vapor pressure: 3.4 mmHg ( 20 °C)
• product line: ReagentPlus^®
• Assay: 99.8%
• form: liquid
• autoignition temp.: 788 °F
• expl. lim.: 1.1 %, 100 °F; 9.4 %
• refractive index: n20/D 1.450 (lit.)
• pH: ~7 (20 °C, 70 g/L)
• bp: 155 °C (lit.)
• mp: −47 °C (lit.)
• density: 0.947 g/mL at 25 °C (lit.)
• SMILES string: O=C1CCCCC1
• InChI: 1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
• InChI key: JHIVVAPYMSGYDF-UHFFFAOYSA-N

Description

General description

Cyclohexanone is a cyclic ketone that can be prepared by either the oxidation of cyclohexane or the hydrogenation of phenol. It is an important raw material in the production of caprolactam, adipic acid, and nylon. It is also used as a solvent in insecticides, wood stains, paint and varnish removers, spot removers, cellulosics, and natural and synthetic resins and lacquers.

Application

Cyclohexanone can be used as a reactant to synthesize:

• Secondary amines by reductive amination.
• Adipic acid.
• Tetrasubstituted propargylamines.

It can also be used as a solvent in the triphenylmethyl chloride-initiated atom transfer radical polymerization of styrene to prepare polystyrene in the presence of a catalyst.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS02,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H226,H302 + H312 + H332,H315,H318,H335
• Precautionary Statements: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 111.2 °F - closed cup
• Flash Point(C): 44 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves