02482

Cyclohexanone

analytical standard

• Linear Formula: C₆H₁₀(=O)
• CAS Number: 108-94-1
• Molecular Weight: 98.14
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329747444
• EC Number: 203-631-1
• Beilstein/REAXYS Number: 385735
• MDL number: MFCD00001625

Properties

• grade: analytical standard
• Quality Segment: 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.[1] It can be synthesized industrially by either the oxidation of cyclohexane or the hydrogenation of phenol.[1][2]

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[3]

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: 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