29140

Cyclohexanone

≥99.5% (GC), suitable for GC/GC, puriss. p.a.

• Synonym(s): pimelic ketone
• Linear Formula: C₆H₁₀(=O)
• CAS Number: 108-94-1
• Molecular Weight: 98.14
• Beilstein/REAXYS Number: 385735
• EC Number: 203-631-1
• MDL number: MFCD00001625
• UNSPSC Code: 12352100
• PubChem Substance ID: 57648345
• NACRES: NA.21
• Assay: ≥99.5% (GC)
• Technique(s): GC/GC: suitable
• Bp: 155 °C (lit.)
• Vapor pressure: 3.4 mmHg ( 20 °C)

Properties

• Product Name: Cyclohexanone, puriss. p.a., ≥99.5% (GC)
• vapor density: 3.4 (vs air)
• Quality Level: 200
• vapor pressure: 3.4 mmHg ( 20 °C)
• grade: puriss. p.a.
• assay: ≥99.5% (GC)
• autoignition temp.: 788 °F
• expl. lim.: 1.1 %, 100 °F; 9.4 %
• technique(s): GC/GC: suitable
• impurities: ≤0.5% water
• evapn. residue: ≤0.05%
• refractive index: n20/D 1.450 (lit.); n20/D 1.450
• bp: 155 °C (lit.)
• mp: −47 °C (lit.)
• density: 0.947 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• functional group: ketone
• 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 mainly used as an intermediate in the synthesis of nylon.[1]

Application

Cyclohexanone may undergo asymmetric Michael addition with aryl and alkyl nitroolefins in the presence of pyrrolidine-urea based catalysts to form the corresponding adducts.[2] It may also be used in the synthesis of a wide range of compounds such as adipic acid[3], 2-(hydroxy(phenyl)methyl)cyclohexanone[4], 2-allylcyclohexan-1-one[5], tetrasubstituted propargylamines[6] and N-cyclohexyl-benzyl amine derivatives.[7]

Safety Information

• pictograms: GHS02,GHS05,GHS07
• signalword: Danger
• hcodes: H226,H302 + H312 + H332,H315,H318,H335
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 111.2 °F - closed cup
• flash_point_c: 44 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter