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Merck
CN

171573

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24850382
EC Number:
211-447-8
Beilstein/REAXYS Number:
636348
MDL number:
MFCD00001961
Assay:
99%
Form:
liquid

Key Documents

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InChI key

ACRWYXSKEHUQDB-UHFFFAOYSA-N

InChI

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

SMILES string

N#CCCc1ccccc1

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, phenyl

Quality Level

100

Related Categories

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

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBH1657
STBB4499V
STBB4499
01507DE
13528ER

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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).
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.
Foods (Basel, Switzerland), 9(6) (2020-06-12)
Exogenous methyl jasmonate (MeJA) treatment was known to increase the levels of neoglucobrassicin and their bioactive hydrolysis products in broccoli (Brassica oleracea var. italica), but the fate of MeJA-induced glucosinolates (GSLs) after various cooking methods was unknown. This study measured
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
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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