1,3-Propanediol,2-butyl-2-ethyl-

• Catalog Number: ACM115844
• Product Name: 1,3-Propanediol,2-butyl-2-ethyl-
• CAS: 115-84-4
• Category: Heterocyclic Organic Compound
• Description: OtherSolid; PelletsLargeCrystals
• IUPAC Name: 2-butyl-2-ethylpropane-1,3-diol
• Molecular Weight: 160.25g/mol
• Molecular Formula: C9H20O2
• Canonical SMILES: CCCCC(CC)(CO)CO
• InChI: InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
• InChI Key: DSKYSDCYIODJPC-UHFFFAOYSA-N
• Boiling Point: 262.0 °C
• Melting Point: 43.8 °C
• Complexity: 87.6
• Covalently-Bonded Unit Count: 1
• EC Number: 204-111-7
• Exact Mass: 160.14633g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 160.14633g/mol
• NSC Number: 406603
• Rotatable Bond Count: 6
• UNII: 61P3KJ8K4Y
• Vapor Pressure: 1.00e-04 mmHg
• XLogP3: 1.8