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511404

5-Hexenenitrile

95%

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About This Item

Linear Formula:
H2C=CH(CH2)3CN
CAS Number:
5048-19-1
Molecular Weight:
95.14
NACRES:
NA.22
PubChem Substance ID:
24873444
UNSPSC Code:
12352100
MDL number:
MFCD00067056
Assay:
95%
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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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

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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