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171573

Sigma-Aldrich

3-Phenylpropionitrile

99%

Synonym(s):

Hydrocinnamonitrile

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About This Item

Linear Formula:
C6H5CH2CH2CN
CAS Number:
645-59-0
Molecular Weight:
131.17
Beilstein:
636348
EC Number:
211-447-8
MDL number:
MFCD00001961
UNSPSC Code:
12352100
PubChem Substance ID:
24850382
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.521 (lit.)

bp

113 °C/9 mmHg (lit.)

mp

−2-−1 °C (lit.)

density

1.001 g/mL at 25 °C (lit.)

functional group

nitrile

SMILES string

N#CCCc1ccccc1

InChI

1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

InChI key

ACRWYXSKEHUQDB-UHFFFAOYSA-N

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General description

The effect of 3-Phenylpropionitrile on the growth and survival of woodlouse Porcellio scaber has been studied.

Application

3-Phenylpropionitrile was used to study the free enzyme activity of nitrilase AtNIT1.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Selective hydrolysis of the nitrile group of cis-dihydrodiols from aromatic nitriles.
Journal of Molecular Catalysis. B, Enzymatic, 38(2), 78-83 (2006)
Yu-Chun Chiu et al.
International journal of molecular sciences, 19(4) (2018-04-05)
Methyl jasmonate (MeJA), synthesized in the jasmonic acid (JA) pathway, has been found to upregulate glucosinolate (GS) biosynthesis in plant species of the Brassicaceae family. Exogenous application of MeJA has shown to increase tissue GS concentrations and the formation of
Marijana Popović et al.
Biomolecules, 10(2) (2020-02-27)
Horseradish degradation products, mainly isothiocyanates (ITC) and nitriles, along with their precursors glucosinolates, were characterized by GC-MS and UHPLC-MS/MS, respectively. Volatiles from horseradish leaves and roots were isolated using microwave assisted-distillation (MAD), microwave hydrodiffusion and gravity (MHG) and hydrodistillation (HD).
A E Elaine van Ommen Kloeke et al.
Chemosphere, 89(9), 1084-1090 (2012-06-16)
Glucosinolates are compounds produced by commercial crops which can hydrolyse in a range of natural toxins that may exert detrimental effects on beneficial soil organisms. This study examined the effects of 2-phenylethyl isothiocyanate and 3-phenylpropionitrile on the survival and growth
Yu-Chun Chiu et al.
Food chemistry, 299, 125099-125099 (2019-07-13)
Applying methyl jasmonate can mimic the defense response to insect damage in broccoli and enhances the production of glucosinolates, especially inducible indolyl GS-neoglucobrassicin. Previous studies have suggested that glucosinolates and their hydrolysis products are anti-carcinogenic. Therefore, MeJA treatment may increase
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