2-methoxyethyl 2-cyanoacetate

Basic Information

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CAS Number

10258-54-5

Molecular Formula

C6H9NO3

Molecular Weight

132.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

98-100 °C/1 mmHg

Solubility

745g/l

Refractive Index

n20/D 1.434(lit.)

SMILES

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COCCOC(=O)CC#N

InChI

InChI=1S/C6H12O3/c1-3-6(7)9-5-4-8-2/h3-5H2,1-2H3

InChIKey

VAHNPAMCADTGIO-UHFFFAOYSA-N

LogP

0.586

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

146

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

FT-0612843
MFCD00071550
?2-Methoxyethyl cyanoacetate
W-110264
CAS-10258-54-5
NCGC00248171-01
Z104479724
UT9YIO537F
SGLKIEOMYXTGBH-UHFFFAOYSA-N
CYANOACETIC ACID, 2-METHOXYETHYL ESTER
2-Methoxyethyl cyanoacetate, Lonza quality, >=99.0% (GC)
DTXCID8018831
Q27291265
Tox21_300797
NCGC00254701-01
Acetic acid, 2-cyano-, 2-methoxyethyl ester
EN300-20676
ACETIC ACID, CYANO-, 2-METHOXYETHYL ESTER
10258-54-5
F81534
AKOS000120189
2-methoxyethyl2-cyanoacetate
A896755
NS00023161
2-Methoxyethyl cyanoacetate
DTXSID0038831
Cyanoacetic acid, .beta.-methoxyethyl ester
CHEMBL3186943
SCHEMBL755188
ETHANOL, 2-METHOXY-, CYANOACETATE
BCP12767

MDL Number

MFCD00071550

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-methoxyethyl 2-cyanoacetate (CAS: 10258-54-5)?

2-Methoxyethyl 2-cyanoacetate (CAS: 10258-54-5) is a colorless or slightly yellow liquid with a molecular weight of approximately 130.15 g/mol. It has a pKa value of 2.5 and a boiling point around 116°C. The compound is soluble in water and organic solvents. It is prone to hydrolysis and can undergo nucleophilic substitution reactions.

How is 2-methoxyethyl 2-cyanoacetate (CAS: 10258-54-5) typically synthesized?

2-Methoxyethyl 2-cyanoacetate (CAS: 10258-54-5) can be synthesized via esterification of 2-cyanoacetic acid with methoxyethanol. The reaction is typically conducted in the presence of a catalyst such as acetic anhydride or a Lewis acid. The yield is generally around 85-90%, and the product is isolated by distillation.

What industries use 2-methoxyethyl 2-cyanoacetate (CAS: 10258-54-5)?

2-Methoxyethyl 2-cyanoacetate (CAS: 10258-54-5) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer, and in the electronics industry for the production of sensors and semiconductors. It is also used as a solvent and reagent in organic synthesis.

What precautions should be taken when handling 2-methoxyethyl 2-cyanoacetate (CAS: 10258-54-5)?

When handling 2-methoxyethyl 2-cyanoacetate (CAS: 10258-54-5), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and safety measures.