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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
form:
liquid
Assay:
99%

Quality Level

100

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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

171573-100G:4548173109022
171573-BULK:
171573-VAR:
171573-10G:4548173109039

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Certificates of Analysis (COA)

Lot/Batch Number
STBH1657
STBB4499V
STBB4499
01507DE
14604BY

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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
Franziska S Hanschen
Food chemistry, 321, 126694-126694 (2020-04-04)
Red cabbage contains glucosinolates, precursors to health-promoting isothiocyanates. However, raw cabbage often releases mainly epithionitriles and nitriles from glucosinolates. To increase isothiocyanate formation, the effect of acid usage in the preparation of red cabbage was evaluated. Moreover, the effects of
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
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