511404
5-Hexenenitrile
95%
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About This Item
Linear Formula:
H2C=CH(CH2)3CN
CAS Number:
Molecular Weight:
95.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
95%
assay
95%
refractive index
n20/D 1.427 (lit.)
bp
165 °C (lit.)
density
0.837 g/mL at 25 °C (lit.)
functional group
allyl, nitrile
SMILES string
C=CCCCC#N
InChI
1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2
InChI key
UNAQSRLBVVDYGP-UHFFFAOYSA-N
General description
5-Hexenenitrile, an aliphatic nitrile, is a volatile compound that is formed as a degradation product of glucobrassicanapin in Aurinia sinuata. It is reported to be an attractant from oilseed rape for the cabbage seed weevil, Ceutorhynchus assimilis. 5-Hexenenitrile is the main volatile compound found in wheat extract. It undergoes Wacker oxidation to form the corresponding methyl ketone using PdCl2-DMA (palladium dichloride-N,N-diemthylacetamide) catalytic system.
Application
5-Hexenenitrile may be used in the synthesis of 1,8-dicyano-4-octene.
signalword
Warning
hcodes
Hazard Classifications
Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
104.9 °F - closed cup
flash_point_c
40.5 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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