(2Z)-2-Butene-1,4-diyl diacetate

Basic Information

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CAS Number

25260-60-0

Molecular Formula

C8H12O4

Molecular Weight

172.18 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 Physical Properties

Boiling Point

120-121 °C/18 mmHg

Water Solubility

Not miscible in water.

Refractive Index

n20/D 1.443(lit.)

SMILES

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CC(=O)OCC=CCOC(=O)C

InChI

InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-

InChIKey

VZUAUHWZIKOMFC-ARJAWSKDSA-N

LogP

0.6688

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

164

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

cis-1,4-diacetoxy-2-buten
2-Butene-1,4-diol,1,4-diacetate,(2Z)-
(Z)-1,4-diacetoxy-but-2-ene
cis-1,4-Diacetoxy-2-butene, 95%
D1358
SCHEMBL271027
CS-0197084
AS-76525
MFCD00059339
D89843
cis-2-buten-1,4-diol diacetate
A877649
J-015896
(Z)-But-2-ene-1,4-diyl diacetate
NS00007864
2-butene-1,4-diol, diacetate, (2Z)-
cis-2-Butene-1,4-diol diacetate
25260-60-0
MFCD00077968
(2Z)-but-2-ene-1,4-diyl diacetate
2-Butene-1,4-diol diacetate
1,4-diacetoxy-but-2c-ene
[(Z)-4-acetyloxybut-2-enyl] acetate
cis-1,4-Diacetoxy-2-butene
AKOS015915802
InChI=1/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3
EC 607-674-0
1,4-diacetate-2-butene
1,4-diacetoxy-cis-2-butene
1-methyl-1-propenyl-2-magnesium bromide
1-Methyl-1-propenylmagnesium bromide solution

MDL Number

MFCD00059339

Customs Code

2915390090

FAQ

What are the physical and chemical properties of (2Z)-2-Butene-1,4-diyl diacetate (CAS: 25260-60-0)?

(2Z)-2-Butene-1,4-diyl diacetate is a colorless liquid with a molecular weight of approximately 162.18 g/mol. It has a low melting point and is moderately soluble in water but highly soluble in organic solvents. This compound is relatively stable but may react with strong bases or reducing agents. It is used in various applications due to its specific reactivity and solubility characteristics.

How is (2Z)-2-Butene-1,4-diyl diacetate (CAS: 25260-60-0) typically synthesized?

(2Z)-2-Butene-1,4-diyl diacetate can be synthesized via an esterification process, where 2-butene-1,4-diol reacts with acetic acid in the presence of a strong acid catalyst like sulfuric acid. The reaction is typically carried out at room temperature, and the yield and selectivity can be improved by optimizing the reaction conditions and catalyst choice.

What industries use (2Z)-2-Butene-1,4-diyl diacetate (CAS: 25260-60-0)?

(2Z)-2-Butene-1,4-diyl diacetate finds applications in the pharmaceutical industry for the synthesis of certain active pharmaceutical ingredients, as well as in the polymer industry for the modification of polymer properties. It is also used in the production of sensors and as a reagent in semiconductor manufacturing processes due to its unique chemical properties.

What precautions should be taken when handling (2Z)-2-Butene-1,4-diyl diacetate (CAS: 25260-60-0)?

When handling (2Z)-2-Butene-1,4-diyl diacetate, it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or within a fume hood to minimize exposure to vapors. In case of a spill, immediate action should be taken to contain it using appropriate spill kits, and the area should be cleaned thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.