Dibutyl carbonate

Basic Information

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CAS Number

542-52-9

Molecular Formula

C9H18O3

Molecular Weight

174.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

207°C

Refractive Index

nD20 1.4117

SMILES

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CCCCOC(=O)OCCCC

InChI

InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3

InChIKey

QLVWOKQMDLQXNN-UHFFFAOYSA-N

LogP

2.7398000000000016

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

100

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

Q27263518
CM-0764
SCHEMBL37837
n-C4H9OC(O)OC4H9-n
N-BUTYL CARBONATE [MI]
di-n-butylcarbonate
UNII-62WFZ7P7QB
Dibuthyl carbonate
NSC-8462
Carbonic acid, dibutyl ester
62WFZ7P7QB
C75547
EN300-183233
Dibutyl carbonate
EINECS 208-816-0
NS00022344
Dibutylcarbonate
Di-n-butyl carbonate
SY164704
FT-0624677
AKOS006227648
542-52-9
AI3-30046
DTXSID7060255
Carbonic acid dibutyl ester
Carbonic acid, di-n-butyl ester
CS-0030718
InChI=1/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H
n-Butyl carbonate
PD055958
Di-n-butyl carbonate; Dibutyl carbonate; Jeffsol AG 1560; NSC 8462; n-Butyl carbonate; Carbonic acid, dibutyl ester

MDL Number

MFCD00043938

Customs Code

2920909090

FAQ

What regulatory guidelines apply to dibutyl carbonate (CAS: 542-52-9)?

Dibutyl carbonate (CAS: 542-52-9) must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labeling. In the European Union, it falls under REACH regulations, requiring registration and safety data sheets. In the USA, it is regulated by the EPA under the Toxic Substances Control Act (TSCA) and must meet FDA guidelines for any food contact applications.

Are there alternatives to dibutyl carbonate (CAS: 542-52-9) in synthesis?

Several alternatives to dibutyl carbonate (CAS: 542-52-9) include ethyl carbonate and propyl carbonate, which can serve similar functions in some reactions. Other substitutes like phosphoric acid esters and cyclic carbonates are also explored, depending on the specific application and requirements.

What is the market or research trend for dibutyl carbonate (CAS: 542-52-9)?

The market for dibutyl carbonate (CAS: 542-52-9) has been growing due to its use in plasticizers and solvents. Research trends are focusing on its potential in green chemistry applications, as well as exploring biodegradable alternatives. Market trends indicate increasing demand in the polymer industry, with research highlighting its role in sustainable chemical processes.

How should waste containing dibutyl carbonate (CAS: 542-52-9) be handled?

Waste containing dibutyl carbonate (CAS: 542-52-9) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but proper temperature control is necessary to prevent explosions. Environmental precautions include preventing spills and ensuring that waste is not released into the environment without proper treatment. Always follow local and international regulations for hazardous waste disposal.