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Merck
CN

M31503

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
NACRES:
NA.22
PubChem Substance ID:
24896801
UNSPSC Code:
12352100
EC Number:
217-354-9
MDL number:
MFCD00001871

Key Documents

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Product Name

α-Methylbenzyl cyanide, 96%

InChI key

NVAOLENBKNECGF-UHFFFAOYSA-N

InChI

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

SMILES string

CC(C#N)c1ccccc1

assay

96%

refractive index

n20/D 1.5106 (lit.)

density

0.985 g/mL at 25 °C (lit.)

Quality Level

100

Related Categories

pictograms

Exclamation mark
GHS07

signalword

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

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

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV0241
MKCJ0245
MKCC0706
MKBR5496V
MKBR1976V

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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
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
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
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
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