02482

Cyclohexanone

analytical standard

• 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: 41116107
• PubChem Substance ID: 329747444
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 3.4 (vs air)
• vapor pressure: 3.4 mmHg ( 20 °C)
• assay: ≥99.9% (GC)
• autoignition temp.: 788 °F
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 1.1 %, 100 °F; 9.4 %
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.450 (lit.); n20/D 1.451
• bp: 155 °C (lit.)
• mp: −47 °C (lit.)
• density: 0.947 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• format: neat
• 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 cycloalkanone. It is an industrially important intermediate. It is useful for the preparation of raw materials for various chemical intermediates, such as caprolactam for nylon 6 and adipic acid for nylon 66 synthesis of nylon. It can be synthesized industrially by either the oxidation of cyclohexane or the hydrogenation of phenol.

Application

Cyclohexanone may be used for the following syntheses:

• vitamin A
• 2-cyclohexylidene cyclohexanone via Aldol condensation reaction
• 2-cyclohexenyl cyclohexanone via Aldol condensation reaction
• bis-(arylmethylidene)cycloalkanones by cross-aldol condensation with aldehydes

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