gamma-Valerolactone

Base Information

• Chemical Name: gamma-Valerolactone
• CAS No.: 57129-69-8
• Deprecated CAS: 57129-69-8
• Molecular Formula: C5H8O2
• Molecular Weight: 0
• European Community (EC) Number: 203-569-5
• NSC Number: 33700
• UN Number: 1224
• UNII: O7056XK37X
• DSSTox Substance ID: DTXSID0047618
• Nikkaji Number: J5.072E
• Wikipedia: Gamma-Valerolactone
• Wikidata: Q845530
• Pharos Ligand ID: VK4JAPF8T9B3
• Metabolomics Workbench ID: 4342
• ChEMBL ID: CHEMBL195593
• Mol file: 57129-69-8.mol

Synonyms:4-valerolactone;gamma-valerolactone

Chemical Property of gamma-Valerolactone

Chemical Property:

• Melting Point: -31°C
• Refractive Index: 1.4328 (estimate)
• Boiling Point: 147.55°C (rough estimate)
• PSA: 26.30000
• Density: 1.0551
• LogP: 0.71190
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 88.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Lactones
• Canonical SMILES: CC1CCC(=O)O1

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