Diethoxyacetonitrile

Basic Information

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CAS Number

6136-93-2

Molecular Formula

C6H11NO2

Molecular Weight

118.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

−19-−18 °C

Boiling Point

167.7 °C/773 mmHg

Density

0.929 g/mL at 25 °C

Refractive Index

n20/D 1.4(lit.)

SMILES

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CCOC(OCC)C#N

InChI

InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3

InChIKey

UDELMRIGXNCYLU-UHFFFAOYSA-N

LogP

1.4054

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

98.9

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

2,2-Diethoxyacetonitrile
Diethoxyacetonitrile
Acetonitrile,2,2-diethoxy-
Acetonitrile, diethoxy-
Acetonitrile, 2,2-diethoxy-
2,2-diethoxyethanenitrile
cyanodiethoxymethane
Diethoxyacetonitrile, 97%
UDELMRIGXNCYLU-UHFFFAOYSA-N
STL451532
SBB056427
NE11000
AB01964
TRA0073289
ZB011877
SY036025

MDL Number

MFCD00043982

Customs Code

2926909090

FAQ

What regulatory guidelines apply to Diethoxyacetonitrile (CAS: 6136-93-2)?

Diethoxyacetonitrile (CAS: 6136-93-2) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and is classified as a flammable liquid (Category 4) and a skin and eye irritant (Category 2). In the European Union, it falls under the REACH regulations, requiring registration if used in quantities above 1 ton per year. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific requirements for its handling and disposal.

Are there alternatives to Diethoxyacetonitrile (CAS: 6136-93-2) in synthesis?

Yes, there are alternative reagents that can be used in synthesis. For example, diethoxyacetone can be an alternative due to its similar functional groups. Other alternatives include diethyl ketoxime and ethyl acetoacetate, which can be used depending on the specific reaction conditions and desired product. These alternatives can offer similar reactivity while potentially having better safety profiles or regulatory compliance.

What is the market or research trend for Diethoxyacetonitrile (CAS: 6136-93-2)?

The market for Diethoxyacetonitrile (CAS: 6136-93-2) is generally stable, with a growing interest in its use in pharmaceutical and agrochemical industries. Research trends are focusing on its application in organic synthesis, particularly in the preparation of chiral compounds. There are also increasing studies on its potential as a ligand in catalytic reactions, which may drive market growth in the future.

How should waste containing Diethoxyacetonitrile (CAS: 6136-93-2) be handled?

Waste containing Diethoxyacetonitrile (CAS: 6136-93-2) should be collected in appropriate containers and handled in compliance with local regulations. The waste should be incinerated or disposed of via professional waste disposal services, ensuring that all safety precautions are followed. Environmental protection measures include proper ventilation during handling and use of personal protective equipment (PPE) to prevent exposure. Compliance with regulations such as the EPA’s Resource Conservation and Recovery Act (RCRA) is crucial for safe waste disposal.