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M31503

Sigma-Aldrich

α-Methylbenzyl cyanide

96%

Synonym(s):

α-Methylphenylacetonitrile

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About This Item

Linear Formula:
C6H5CH(CH3)CN
CAS Number:
1823-91-2
Molecular Weight:
131.17
EC Number:
217-354-9
MDL number:
MFCD00001871
UNSPSC Code:
12352100
PubChem Substance ID:
24896801
NACRES:
NA.22

Quality Level

100

Assay

96%

refractive index

n20/D 1.5106 (lit.)

density

0.985 g/mL at 25 °C (lit.)

SMILES string

CC(C#N)c1ccccc1

InChI

1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3

InChI key

NVAOLENBKNECGF-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

201.2 °F - closed cup

Flash Point(C)

94 °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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Tamás Plaszkó et al.
Metabolites, 10(11) (2020-11-12)
The interaction between plant defensive metabolites and different plant-associated fungal species is of high interest to many disciplines. Volatile organic compounds (VOCs) are natural products that are easily evaporated under ambient conditions. They play a very important role in inter-species
Zhong-Liu Wu et al.
Biotechnology and applied biochemistry, 35(Pt 1), 61-67 (2002-02-09)
Racemic 2-phenylpropionitrile was resolved enantioselectively by nitrile-converting enzymes in cells of Rhodococcus sp. CGMCC 0497 to S-(+)-2-phenylpropionic acid and R-(-)-2-phenylpropionamide. By optimization of the culture conditions, great enhancement of enzyme activity and enantioselectivity was achieved. Furthermore, the relationship between cell-growth
Ondřej Kaplan et al.
BMC biotechnology, 11, 2-2 (2011-01-08)
Nitrilases attract increasing attention due to their utility in the mild hydrolysis of nitriles. According to activity and gene screening, filamentous fungi are a rich source of nitrilases distinct in evolution from their widely examined bacterial counterparts. However, fungal nitrilases
T Gilligan et al.
Applied microbiology and biotechnology, 39(6), 720-725 (1993-08-01)
A new soil isolate, tentatively identified as Rhodococcus equi TG328, was found to be effective in the production of S-(+)-2-phenylpropionic acid from (R,S)-2-phenylpropionitrile. The conversion is catalysed by two enzymes. First, a nitrile hydratase converts the (R,S)-nitrile to (R,S)-2-phenylpropionamide. Second
Stefanie Baum et al.
Applied and environmental microbiology, 78(1), 48-57 (2011-10-25)
The nitrilase from Pseudomonas fluorescens EBC191 converted 2-methyl-2-phenylpropionitrile, which contains a quaternary carbon atom in the α-position toward the nitrile group, and also similar sterically demanding substrates, such as 2-hydroxy-2-phenylpropionitrile (acetophenone cyanohydrin) or 2-acetyloxy-2-methylphenylacetonitrile. 2-Methyl-2-phenylpropionitrile was hydrolyzed to almost stoichiometric
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