4-Oxo-4H-pyran-3-yl isobutyrate

Base Information

• Chemical Name: 4-Oxo-4H-pyran-3-yl isobutyrate
• CAS No.: 94022-34-1
• Molecular Formula: C9H10 O4
• Molecular Weight: 182.1733
• European Community (EC) Number: 301-530-8
• DSSTox Substance ID: DTXSID50240272
• Nikkaji Number: J367.968C
• Wikidata: Q83123049
• Mol file: 94022-34-1.mol

Synonyms:4-Oxo-4H-pyran-3-yl isobutyrate;94022-34-1;EINECS 301-530-8;SCHEMBL125575;DTXSID50240272;2-Methylpropionic acid 4-oxo-4H-pyran-3-yl ester

Chemical Property of 4-Oxo-4H-pyran-3-yl isobutyrate

Chemical Property:

• Vapor Pressure: 0.000453mmHg at 25°C
• Boiling Point: 314.9°C at 760 mmHg
• Flash Point: 140°C
• PSA: 56.51000
• Density: 1.19g/cm³
• LogP: 1.20120
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC1=COC=CC1=O