1,3-Butanediyl diacetate

Basic Information

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CAS Number

1117-31-3

Molecular Formula

C8H14O4

Molecular Weight

174.2 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

97℃

Flash Point

85°C

Refractive Index

1.4180

SMILES

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CC(=O)OCCC(OC(=O)C)C

InChI

InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3

InChIKey

MPAGVACEWQNVQO-UHFFFAOYSA-N

LogP

0.8912

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

164

Synonyms & References

English

1,3-butanediol diacetate
1,3-butylene diacetate
1,3-Butylene glycol diacetate
1,3-Butandiol diacetate
1,3-Diacetoxy-butan
1,3-Diacetoxybutane
4-acetyloxybutan-2-yl acetate
4-acetyloxybutan-2-yl ethanoate
Butane-1,3-diol diacetate
Butane-1,3-diyl diacetate
1,3-Butanediol, diacetate
1,3-Butanediol, 1,3-diacetate
3-acetyloxybutyl acetate
1,3-butandiol-diacetat
3-acetyloxybutyl ethanoate
3-(Acetyloxy)butyl acetate
NCIOpen2_000038
3-(Acetyloxy)butyl acetate #
MPAGVACEWQNVQO-UH

MDL Number

MFCD00008710

Customs Code

2915390090

FAQ

What is 1,3-Butanediyl diacetate (CAS: 1117-31-3)?

1,3-Butanediyl diacetate, also known as diacetate of 1,3-butanediol (CAS: 1117-31-3), is an organic compound with the molecular formula C6H10O4. It is a colorless, viscous liquid with a characteristic acetate odor. It is soluble in water and ethanol, and is used in various applications due to its chemical stability and reactivity.

What are the main uses of 1,3-Butanediyl diacetate (CAS: 1117-31-3)?

1,3-Butanediyl diacetate (CAS: 1117-31-3) is primarily used in the synthesis of other chemical compounds, as a solvent, and in the production of plastics and pharmaceuticals. It can also be utilized as a stabilizer in food products and as a reactant in industrial processes.

Is 1,3-Butanediyl diacetate (CAS: 1117-31-3) safe?

1,3-Butanediyl diacetate (CAS: 1117-31-3) is generally safe when handled with proper precautions. It is classified as non-toxic and non-flammable. However, it may cause skin and eye irritation. Users should wear appropriate protective equipment such as gloves and goggles. It is also important to ensure good ventilation during handling and storage.

How should 1,3-Butanediyl diacetate (CAS: 1117-31-3) be stored?

1,3-Butanediyl diacetate (CAS: 1117-31-3) should be stored in a well-ventilated area away from sources of heat and ignition. It should be kept in tightly sealed containers to prevent exposure to air and moisture. Store at room temperature and protect from direct sunlight. Containers should be regularly inspected for any signs of leakage or damage, and the product should be used before the expiration date to ensure its quality and safety.