HPLC Plus, ≥99.9%

Cyanomethane, Methyl cyanide, ACN, Ethyl nitrile
Linear Formula:
CAS Number:
Molecular Weight:
Beilstein/REAXYS Number:
EC Number:
MDL number:
PubChem Substance ID:

Quality Level



vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)





autoignition temp.

973 °F

expl. lim.

16 %

baseline drift measuring range

≤12 mAU (210 nm)


HPLC: suitable
IR spectroscopy: suitable


≤0.0001% free alkali (as NH3)
≤0.0002% non-volatile matter
≤0.001% free acid (as CH3COOH)
≤0.01% water (Karl Fischer)
≤0.5 ppb fluorescence (quinine) at 254 nm
≤0.5 ppb fluorescence (quinine) at 365 nm

halogenated residue

10 ng/L (as heptachlor epoxide)

refractive index

n20/D 1.344 (lit.)


81-82 °C (lit.)


−45 °C (lit.)


0.786 g/mL at 25 °C (lit.)


≤0.2 mAU at 254 nm
≤1 mAU at 210 nm


H2O reference

UV absorption

λ: 195 nm Amax: ≤0.10
λ: 200 nm Amax: ≤0.02
λ: 228 nm Amax: ≤0.005
λ: 235 nm Amax: ≤0.0044
λ: 250 nm Amax: ≤0.0044
λ: 400 nm Amax: ≤0.0044

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Food and Beverages

SMILES string




InChI key


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General description

Acetonitrile (MeCN) is widely employed as a solvent in various studies and has high dielectric constant (37.5). Various purification procedures to obtain different grades of acetonitrile for use in different studies (polarography, spectroscopy, etc.) have been reported by many researchers.


Acetonitrile has been used to compose the gradient system for the HPLC detection of diphenylmethane diisocyanate, a polymeric degradation product.
New Quality UPLC Plus Acetonitrile is suitable for all applications including:
Mass spectrometry, HPLC, TLC, GPC, UV, IR, GC, Pesticide Residue Analysis, and RNA/DNA Synthesis and Purification.


200 L in Pure-Pac™ 2
1, 6×1, 2.5, 4×2.5, 4, 4×4 L in glass bottle
20 L in Nowpak™
20, 50 L in Pure-Pac™ 2
200 L in Pure-Pac™ 1

Preparation Note

Product filtered through a 0.2 μm filter

Other Notes

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Important notice
  • The article number 34998-4X2.5L will be discontinued. Please order the single bottle 34998-2.5L which is physically identical with the same exact specifications.
  • The article number 34998-6X1L will be discontinued. Please order the single bottle 34998-1L which is physically identical with the same exact specifications.

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Legal Information

Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC


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


3 - Flammable liquids

WGK Germany


Flash Point F

42.8 °F - closed cup

Flash Point C

6.0 °C - closed cup

Certificate of Analysis

Certificate of Origin

  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

  2. How do I get lot-specific information or a Certificate of Analysis?

    The lot specific COA document can be found by entering the lot number above under the "Documents" section.

  3. Who do I contact about larger solvent volume needs?

    Email us at labessentials@sial.com or visit Sigma-Aldrich Fine Chemicals for development and manufacturing-scale inquiries: safcglobal@sial.com

  4. How do I know what packaging options are available for a solvent?

    The Solvent Center gives you the ability to review all the specifications associated with our solvent packaging. This includes physical dimensions, closure types, dispensing methods, UN/DOT Rating as well as solvent compatibility. Visit the Solvent Center.

  5. Who do I contact if I need a solvent blend, which you do not carry?

    Email us at labessentials@sial.com. For a complete listing of all our Solvent blends, visit the Solvent Center

  6. The dispensing of solvents provides some challenges due to the number of container options available. What dispensing options are available for each container?

    The Sigma-Aldrich Solvent Center provides numerous dispensing options for each container type. For a complete listing of all our dispensing options, visit the Solvent Center.

  7. Which solvent grade should I be using for my application?

    Sigma-Aldrich Solvent Applications Table gives a guideline to common applications and the appropriate solvent grades.  Visit: Solvents

  8. What are the options for drying solvents? 

    Sigma-Aldrich offers a full range of high-purity solvents with extremely low water levels specifically manufactured for moisture sensitive Organic and Biotech applications.  Sigma-Aldrich also carries various drying agents such as molecular sieves, which are typically compatible with organic solvents.

  9. What apparatus do you recommend for HPLC solvent filtration?

    The Sigma-Aldrich Vacuum Filtration Assembly gives you all the components you need including: funnel top, fritted glass funnel support, filtration flask, aluminum clamp, and silicone stopper.  The Acrodisc Syringe Filters offer high quality filtration for analytical samples, certified for HPLC to ensure low extractable and available in a broad range of membranes to meet sample compatibility requirements.

  10. Can you recommend a Solvent Extractor for organics from aqueous solution?

    Solvent extractors are often used for the quantitative extraction of organics from aqueous solutions and separations in immunoassays. The MIXXOR system has been applied successfully in many laboratory solvent extraction operations and is ideal for the rapid screening of alternative solvents for specific extraction problems.

H Haugen et al.
Journal of biomedical materials research. Part B, Applied biomaterials, 73(2), 229-237 (2005-03-10)
This article deals with enzyme-induced biodegradation behavior of thermoplastic polyether-urethane (TPU). Porous scaffolds were processed by a new foaming method applied in hot pressing and injection molding. The scaffolds were subsequently gamma sterilized. The samples were incubated with cholesterol esterase...
Alexander David Ardianrama et al.
Journal of colloid and interface science, 552, 485-493 (2019-06-04)
Although triangular silver (Ag) nanoplates are intrinsically unstable, this characteristic has been taken advantage of in the development of a novel sensing platform. However, most of these applications have relied on halide ions as etchants. In the current work, we...
Purification of acetonitrile.
Walter M and Ramaley L.
Analytical Chemistry, 45(1), 165-166 (1973)
Timo Glatter et al.
Molecular systems biology, 5, 237-237 (2009-01-22)
Protein complexes represent major functional units for the execution of biological processes. Systematic affinity purification coupled with mass spectrometry (AP-MS) yielded a wealth of information on the compendium of protein complexes expressed in Saccharomyces cerevisiae. However, global AP-MS analysis of...
Elke H J Krekels et al.
Clinical pharmacokinetics, 53(6), 553-563 (2014-02-06)
From a previously validated paediatric population pharmacokinetic model, it was derived that non-linear morphine maintenance doses of 5 μg/kg(1.5)/h, with a 50 % dose reduction in neonates with a postnatal age (PNA) <10 days, yield similar morphine and metabolite concentrations...
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