398241

Cyclohexanone

ACS reagent, ≥99.0%

• 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: 24864732
• NACRES: NA.21

Properties

• grade: ACS reagent
• Quality Level: 200
• vapor density: 3.4 (vs air)
• vapor pressure: 3.4 mmHg ( 20 °C)
• assay: ≥99.0%
• form: liquid
• autoignition temp.: 788 °F
• expl. lim.: 1.1 %, 100 °F; 9.4 %
• impurities: ≤0.05% water
• evapn. residue: ≤0.05%
• color: APHA: ≤10
• refractive index: n20/D 1.450 (lit.)
• 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, a colorless liquid is a cyclic ketone. It is an important building block for the synthesis of a variety of organic compounds. Majority of the cyclohexanone synthesized is utilized as an intermediate in the synthesis of nylon. One of the methods reported for its synthesis is by the palladium catalyzed hydrogenation of phenol. The kinetics of the oxidation reaction of cyclohexanone has been studied in a fused silica jet stirred reactor. The Meerwein–Ponndorf–Verley reduction of cyclohexanone has been reported.

Application

• Application in polymer physicochemical properties: Research highlights the utility of cyclohexanone in developing Poly(vinylidene fluoride) aerogels, emphasizing its role in manipulating polymorphic structures to tune physicochemical characteristics for advanced applications (Suresh et al., 2024).

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