Dimethyl 2-butynedioate

Basic Information

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CAS Number

762-42-5

Molecular Formula

C6H6O4

Molecular Weight

74.08 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

Melting Point

-18 ºC

Boiling Point

198°C

Density

1.156 g/mL at 25 °C

Water Solubility

Soluble in most organic solvents. Insoluble in water.

Refractive Index

n20/D 1.447(lit.)

SMILES

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COC(=O)C#CC(=O)OC

InChI

InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3

InChIKey

VHILMKFSCRWWIJ-UHFFFAOYSA-N

LogP

0.1792999999999999

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

184

Safety Information

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GHS Hazard Pictograms

H302

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Light Sensitive

Synonyms & References

English

2-butynedioic acid dimethyl ester
Acetylenedicarboxylic acid, dimethyl ester
Dimethyl acetylenedicarboxylate, 99%
Dimethylacetylenedicarboxylate
dimethyl-acetylenedicarboxylate
dimethyl acetylendicarboxylate
Bis(carbomethoxy)acetylene
dimethyl acetylenedicarboxy-late
EINECS 212-098-4
DTXSID0061088
dimethylacetylene dicarboxylate
FT-0625034
WLN: 1OV1UU1VO1
STR01625
acetylene dicarboxylic acid, dimethyl ester
MFCD00008456
acetylene dicarboxylic acid dimethyl ester
Dimethyl acetylenedicarboxylic acid
7HZA2PL15F
NSC101119
dimethyl but-2-ynedioate
dimethylacetylendicarboxylate
F0001-1934
1,2-Bis(methoxycarbonyl)acetylene
dimethylbut-2-ynedioate
NCGC00165984-01
dicarbomethoxyacetylene
2-Butynedioic acid, dimethyl ester
1,2-Bis(methoxycarbonyl)ethyne
dimethyl-acetylene dicarboxylate
Z104473200

MDL Number

MFCD00008456

Customs Code

2917190090

FAQ

What is Dimethyl 2-butynedioate (CAS: 762-42-5)?

Dimethyl 2-butynedioate, with the CAS number 762-42-5, is an organic compound used primarily in chemical synthesis. Its chemical formula is C6H10O3, and it is characterized by a ketone group and a butynedioate structure. It is a colorless liquid with a sweet odor and is known for its reactivity in forming various derivatives.

What are the main uses of Dimethyl 2-butynedioate (CAS: 762-42-5)?

Dimethyl 2-butynedioate is widely used in pharmaceutical research for the synthesis of complex molecules. It also finds applications in organic chemistry as a versatile intermediate. Additionally, it is employed in industrial processes and as a reagent in research settings for creating derivatives with specific functional groups.

Is Dimethyl 2-butynedioate (CAS: 762-42-5) safe?

Dimethyl 2-butynedioate is considered hazardous due to its potential to cause irritation and toxicity. Proper handling, including the use of personal protective equipment (PPE), is essential. Safety standards recommend working in a well-ventilated area and following guidelines for chemical exposure to ensure safe use in laboratory and industrial environments.

How should Dimethyl 2-butynedioate (CAS: 762-42-5) be stored?

Dimethyl 2-butynedioate should be stored in a cool, dry, and dark place to maintain stability. It is best kept in a sealed container, away from heat and moisture. Storage conditions should be controlled to prevent degradation, and it should be handled with care to avoid exposure to air and light, which can affect its chemical integrity.