Dibutyl Carbonate

• CAS: 542-52-9
• Catalog Number: ACM542529
• Category: Other Products
• Molecular Weight: 174.24
• Molecular Formula: C9H18O3
• Synonyms: Carbonic Acid Dibutyl Ester
• IUPAC Name: dibutyl carbonate
• Canonical SMILES: CCCCOC(=O)OCCCC
• InChI: InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3
• InChI Key: QLVWOKQMDLQXNN-UHFFFAOYSA-N
• Boiling Point: 207 °C
• Flash Point: 76 °C
• Appearance: Colorless to Almost colorless clear liquid
• Storage: Store under inert gas
• Complexity: 100
• Condition To Avoid: Moisture Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 208-816-0
• Exact Mass: 174.125594g/mol
• Formal Charge: 0
• Hazard Statements: H227 : Combustible liquid.
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 12
• MDL Number: MFCD00043938
• Monoisotopic Mass: 174.125594g/mol
• NSC Number: 8462
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P403 + P235 : Store in a well-ventilated place. Keep cool.
• Refractive Index: 1.41
• Rotatable Bond Count: 8
• Signal Word: Warning
• Specific Gravity: 0.93
• UNII: 62WFZ7P7QB
• XLogP3: 3

Custom Q&A

What is the PubChem CID of Dibutyl carbonate?

PubChem CID 68333.

What is the molecular formula of Dibutyl carbonate?

The molecular formula of Dibutyl carbonate is C9H18O3.

What are the synonyms of Dibutyl carbonate?

The synonyms of Dibutyl carbonate are Carbonic acid, dibutyl ester, n-Butyl carbonate, and Dibutylcarbonate.

What is the molecular weight of Dibutyl carbonate?

The molecular weight of Dibutyl carbonate is 174.24 g/mol.

What is the IUPAC name of Dibutyl carbonate?

The IUPAC name of Dibutyl carbonate is dibutyl carbonate.

What is the InChI of Dibutyl carbonate?

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

What is the InChIKey of Dibutyl carbonate?

The InChIKey of Dibutyl carbonate is QLVWOKQMDLQXNN-UHFFFAOYSA-N.

What is the Canonical SMILES of Dibutyl carbonate?

The Canonical SMILES of Dibutyl carbonate is CCCCOC(=O)OCCCC.

What is the CAS number of Dibutyl carbonate?

The CAS number of Dibutyl carbonate is 542-52-9.

Is Dibutyl carbonate a covalently-bonded unit?

Yes, Dibutyl carbonate is a covalently-bonded unit.