2,3-bis(formyloxy)propyl formate

• ChemBase ID: 129997
• Molecular Formular: C6H8O6
• Molecular Mass: 176.12412
• Monoisotopic Mass: 176.03208798
• SMILES: C(C(COC=O)OC=O)OC=O
• Canonical SMILES: O=COC(COC=O)COC=O
• InChI: InChI=1S/C6H8O6/c7-3-10-1-6(12-5-9)2-11-4-8/h3-6H,1-2H2
• InChIKey: UFTFJSFQGQCHQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(formyloxy)propyl formate
• IUPAC Traditional name: 2,3-bis(formyloxy)propyl formate
• Synonyms: propane-1,2,3-triol triformate; 1,2,3-Propanetrioe; 1,2,3-triformate; glycerol triformate; Triformin

Database IDs

• CAS Number: 32765-69-8
• Beilstein Number: 1769884
• PubChem SID: 162224283
• PubChem CID: 5460048
• Chemspider ID: 4573731
• Wikipedia Title: Triformin

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6617339
• LogD (pH = 7.4): -0.6617339
• Log P: -0.6617339
• Molar Refractivity: 34.4991 cm^3
• Polarizability: 14.39541 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 18°C
• Boiling Point: 266°C
• Density: 1.32 g/cm^3
• Refractive Index: 1.4412