511404

5-Hexenenitrile

95%

• Linear Formula: H₂C=CH(CH₂)₃CN
• CAS Number: 5048-19-1
• Molecular Weight: 95.14
• MDL number: MFCD00067056
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873444
• NACRES: NA.22

Properties

• Assay: 95%
• refractive index: n20/D 1.427 (lit.)
• bp: 165 °C (lit.)
• density: 0.837 g/mL at 25 °C (lit.)
• SMILES string: C=CCCCC#N
• InChI: 1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2
• InChI key: UNAQSRLBVVDYGP-UHFFFAOYSA-N

Description

General description

5-Hexenenitrile, an aliphatic nitrile, is a volatile compound that is formed as a degradation product of glucobrassicanapin in Aurinia sinuata.[1] It is reported to be an attractant from oilseed rape for the cabbage seed weevil, Ceutorhynchus assimilis.[2] 5-Hexenenitrile is the main volatile compound found in wheat extract.[3] It undergoes Wacker oxidation to form the corresponding methyl ketone using PdCl₂-DMA (palladium dichloride-N,N-diemthylacetamide) catalytic system.[4]

Application

5-Hexenenitrile may be used in the synthesis of 1,8-dicyano-4-octene.[5]

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H315,H335
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P303 + P361 + P353
• Hazard Classifications: Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 104.9 °F - closed cup
• Flash Point(C): 40.5 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves