Dioctyl carbonate

Basic Information

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CAS Number

1680-31-5

Molecular Formula

C17H34O3

Molecular Weight

286.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCCCCCCCOC(=O)OCCCCCCCC

InChI

InChI=1S/C17H34O3/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

PKPOVTYZGGYDIJ-UHFFFAOYSA-N

LogP

5.860600000000007

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

Carbonic acid, dioctylester
DICAPRYLYL CARBONATE
Di-n-octyl-carbonate
Dioctyl carbonate
Dioctylcarbonat
Kohlensaeure-di-n-octylester
octyl carbonate
Dicaprylyl carbonate

MDL Number

MFCD18204677

Customs Code

2917399090

FAQ

What are the physical and chemical properties of Dioctyl carbonate (CAS: 1680-31-5)?

Dioctyl carbonate (CAS: 1680-31-5) is a colorless, clear, and oily liquid at room temperature. Its molecular weight is approximately 414.56 g/mol. It has a high solubility in organic solvents like acetone and ethyl acetate but is insoluble in water. Dioctyl carbonate is a stable compound with low reactivity, making it suitable for a wide range of applications in chemical processing and manufacturing.

How is Dioctyl carbonate (CAS: 1680-31-5) typically synthesized?

Dioctyl carbonate (CAS: 1680-31-5) is commonly synthesized through the esterification reaction between dimethyl carbonate (DMC) and octanol in the presence of a strong acid catalyst, such as sulfuric acid or phosphoric acid. The reaction is carried out under mild conditions, and the product is then purified by distillation to obtain dioctyl carbonate with high purity.

What industries use Dioctyl carbonate (CAS: 1680-31-5)?

Dioctyl carbonate (CAS: 1680-31-5) is widely used in the pharmaceutical, plastics, and coatings industries. It serves as a plasticizer, solvent, and intermediate for the synthesis of various organic compounds. Additionally, it is utilized in the manufacturing of electronic materials, such as liquid crystals, and as a stabilizer in some polymer formulations.

What precautions should be taken when handling Dioctyl carbonate (CAS: 1680-31-5)?

When handling dioctyl carbonate (CAS: 1680-31-5), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Always work in a well-ventilated area or fume hood to avoid inhalation of vapors. Store the compound in a cool, dry place away from direct sunlight and sources of ignition. In case of spillage, immediately clean up the area using appropriate absorbents and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information.