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900667

Sigma-Aldrich

Acetonitrile

≥99.92%, suitable for mass spectrometry (MS), UHPLC

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Synonym(s):
ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide
Linear Formula:
CH3CN
CAS Number:
75-05-8
Molecular Weight:
41.05
Beilstein:
741857
EC Number:
200-835-2
MDL number:
MFCD00001878
UNSPSC Code:
12191502
NACRES:
NA.21

Agency

suitable for ASTM® 7968
suitable for ASTM® 7979
suitable for DIN 38407-42
suitable for EPA 1633
suitable for EPA 8327
suitable for GB 31604.35-2016
suitable for GB 5009.253-2016
suitable for ISO 21675 2019

Quality Level

100

reg. compliance

suitable for FDA C-010.02

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

Assay

≥99.92%

form

liquid

autoignition temp.

973 °F

expl. lim.

16 %

technique(s)

mass spectrometry (MS): suitable

refractive index

n20/D 1.344 (lit.)

bp

81-82 °C (lit.)

mp

−45 °C (lit.)

density

0.786 g/mL at 25 °C (lit.)

application(s)

food and beverages

format

neat

SMILES string

CC#N

InChI

1S/C2H3N/c1-2-3/h1H3

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

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General description

Acetonitrile, an aliphatic nitrile, is a highly volatile, aprotic polar organic solvent that finds wide use in analytical determinations. It is UV-transparent − a property that facilitates its utilization in spectrophotometric and fluorimetric analyses. Its low viscosity, high elution strength and miscibility in water makes it viable in many chromatography systems.
Its other applications include its use as a mobile phase additive and as an extraction solvent in liquid-liquid extraction (LLC), solid-phase extraction (SPE) and microextraction for chromatographic applications, etc.

Application

Acetonitrile may be used:
  • As an extraction solvent for the quantification of pesticide analytes in foodstuffs and tea, industrial dyes in juice and wine by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS).
  • As an organic modifier in the determination of bisphenol A-diglycidyl ether, bisphenol F-diglycidyl ether and their derivatives in canned food and beverages by fast LC–MS/MS.

Acetonitrile, an organic solvent, is used as a mobile phase/extraction solvent in the ultra-high performance liquid chromatorgraphy − tandem mass spectrometry (UHPLC-MS) analysis of pesticides in tobacco samples. It can be potentially used with a reverse-phase column to determine the concentration of diclofenac (DCF).

Legal Information

ASTM is a registered trademark of American Society for Testing and Materials

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Rapid determination of organonitrogen, organophosphorus and carbamate pesticides in tea by ultrahigh-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS)
Zhao HX, et al.
Food Analytical Methods, 6(2), 497-505 (2013)
Barbara Giroud et al.
Journal of chromatography. A, 1316, 53-61 (2013-10-15)
Beebread is among the matrices suspected of contaminating honeybee. To better understand this contamination, the study aimed to develop an efficient, sensitive and reliable analytical method for the trace analysis of pesticides in beebread. This study focuses specifically on the
Determination of 27 industrial dyes in juice and wine using ultra performance liquid chromatography with electrospray ionization tandem quadrupole mass spectrometry
Zhao S, et al.
Se Pu / Chinese Journal of Chromatography, 28(4), 356-362 (2010)
Acetonitrile, the polarity chameleon.
P K Zarzycki et al.
Analytical and bioanalytical chemistry, 397(3), 905-908 (2010-04-13)
Gabrieli Bernardi et al.
Talanta, 161, 40-47 (2016-10-23)
An effective method has been developed and validated for the determination of residues of 55 pesticides in tobacco. The proposed sample preparation method is based on acetonitrile extraction, low-temperature precipitation (LTP) and dispersive solid phase extraction (d-SPE) clean-up. Gas chromatography
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