Diethyl Pyrocarbonate

• CAS: 1609-47-8
• Catalog Number: ACM1609478
• Category: Renewable & Alternative Energy
• Molecular Weight: 162.14
• Molecular Formula: C6H10O5
• Description: Solid
• Synonyms: DIETHYL PYROCARBONATE;DIETHYL OXYDIFORMATE;DIETHYL DICARBONATE;ETHOXYFORMIC ACID ANHYDRIDE;ETHOXYFORMIC ANHYDRIDE;OXYDIFORMIC ACID DIETHYL ESTER;PYROCARBONIC ACID DIETHYL ESTER;Baycovin
• IUPAC Name: ethoxycarbonyl ethyl carbonate
• Canonical SMILES: CCOC(=O)OC(=O)OCC
• InChI: InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
• InChI Key: FFYPMLJYZAEMQB-UHFFFAOYSA-N
• Boiling Point: 93-94 °C at 18 mmHg
• Melting Point: <25°C
• Complexity: 126
• Covalently-Bonded Unit Count: 1
• EC Number: 216-542-8
• Exact Mass: 162.052823g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 162.052823g/mol
• Rotatable Bond Count: 6
• UNII: LMR3LZG146
• XLogP3: 1.4

Custom Q&A

What is the molecular formula of diethyl pyrocarbonate?

The molecular formula of diethyl pyrocarbonate is C6H10O5.

What is the molecular weight of diethyl pyrocarbonate?

The molecular weight of diethyl pyrocarbonate is 162.14 g/mol.

What is the IUPAC name of diethyl pyrocarbonate?

The IUPAC name of diethyl pyrocarbonate is ethoxycarbonyl ethyl carbonate.

What is the InChIKey of diethyl pyrocarbonate?

The InChIKey of diethyl pyrocarbonate is FFYPMLJYZAEMQB-UHFFFAOYSA-N.

What is the CAS number of diethyl pyrocarbonate?

The CAS number of diethyl pyrocarbonate is 1609-47-8.

What is the UNII of diethyl pyrocarbonate?

The UNII of diethyl pyrocarbonate is LMR3LZG146.

What is the ChEMBL ID of diethyl pyrocarbonate?

The ChEMBL ID of diethyl pyrocarbonate is CHEMBL55517.

What is the XLogP3 value of diethyl pyrocarbonate?

The XLogP3 value of diethyl pyrocarbonate is 1.4.

How many hydrogen bond donor counts does diethyl pyrocarbonate have?

Diethyl pyrocarbonate has 0 hydrogen bond donor counts.

How many rotatable bond counts does diethyl pyrocarbonate have?

Diethyl pyrocarbonate has 6 rotatable bond counts.

Synthetic Use

Downstream Synthesis Route 1

• 6165-69-1
• 1609-47-8

• 5751-80-4

Reference: [1] Advanced Synthesis and Catalysis, 2015, vol. 357, # 14-15, p. 3104 - 3108

Downstream Synthesis Route 2

• 2873-18-9
• 1609-47-8

• 5751-82-6

Reference: [1] Synthesis, 2004, # 4, p. 568 - 572

Downstream Synthesis Route 3

• 3141-27-3
• 1609-47-8

• 5751-83-7
• 61755-85-9

Reference: [1] Synthesis, 2004, # 4, p. 568 - 572
[2] Synthesis, 2004, # 4, p. 568 - 572

Downstream Synthesis Route 4

• 99-05-8
• 1609-47-8

• 5180-76-7

Reference: [1]Boehm; Mehta
[Chemische Berichte, 1938, vol. 71, p. 1797,1802]

Downstream Synthesis Route 5

• 150-13-0
• 1609-47-8

• 5180-75-6

Reference: [1]Boehm; Mehta
[Chemische Berichte, 1938, vol. 71, p. 1797,1802]
[2]Current Patent Assignee: SOUTH CHINA AGRICULTURAL UNIVERSITY - CN106366021, 2017, A
Location in patent: Paragraph 0039; 0040

Downstream Synthesis Route 6

• 4065-45-6
• 1609-47-8

• 19337-04-3

Reference: [1]Bulletin de la Societe Chimique de France,1968,p. 329 - 335

* For details of the synthesis route, please refer to the original source to ensure accuracy.