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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.)

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)
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).
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.
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
Nicole S Wermter et al.
Foods (Basel, Switzerland), 9(11) (2020-11-21)
Brassica vegetables contain glucosinolates, which are well-known for their potential to form health-promoting isothiocyanates. Among those crucifers, white and red cabbage are commonly consumed vegetables, exhibiting different glucosinolate and hydrolysis profiles thereof. Regarding the health beneficial effects from these vegetables
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