49157

2-(2-Cyanethyl)cyclohexanone

≥97.0%

• Synonym(s): 2-Oxocyclohexane-2-propionitrile, 3-(2-Oxocyclohexyl)propionitrile
• Empirical Formula (Hill Notation): C₉H₁₃NO
• CAS Number: 4594-78-9
• Molecular Weight: 151.21
• EC Number: 224-991-6
• MDL number: MFCD00013797
• UNSPSC Code: 12352100
• PubChem Substance ID: 57651171
• NACRES: NA.22

Properties

• assay: ≥97.0%
• refractive index: n20/D 1.474
• density: 1.024 g/mL at 20 °C (lit.)
• SMILES string: O=C1CCCCC1CCC#N
• InChI: 1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
• InChI key: SPTVCXKSSRBTMN-UHFFFAOYSA-N

Description

General description

2-(2-Cyanethyl)cyclohexanone, also known as 3-(2-oxocyclohexyl)propionitrile, is an α-substituted cyclohexanone. It reacts with BrF₃(bromine trifluoride) to form the corresponding oxadecaline.[1]

Application

2-(2-Cyanethyl)cyclohexanone may be used in the synthesis of 4-keto-nona-1,9-dioic acid by reacting with hydrogen peroxide.[2]

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter