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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

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ0245
MKCC0706
MKBR5496V
MKBR1976V
MKBF3984V

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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
Zsolt Szűcs et al.
BMC plant biology, 18(1), 85-85 (2018-05-11)
The health of plants is heavily influenced by the intensively researched plant microbiome. The microbiome has to cope with the plant's defensive secondary metabolites to survive and develop, but studies that describe this interaction are rare. In the current study
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
A Chmura et al.
Applied microbiology and biotechnology, 81(2), 371-378 (2008-09-17)
An enrichment culture from saline soda soils, using acetate as carbon and energy source and 2-phenylpropionitrile as nitrogen source (PPN) at pH 10, resulted in the isolation of strain ANL-alpha CH3. The strain was identified as a representative of the
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