Propyl oleate

• Catalog Number: ACM111591-1
• Product Name: Propyl oleate
• CAS: 111-59-1
• Category: Polymer/Macromolecule
• Synonyms: Propyl 9-octadecenoate
• IUPAC Name: Propyl (Z)-octadec-9-enoate
• Molecular Weight: 324.5
• Molecular Formula: C21H40O2
• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCC
• InChI: InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h11-12H,3-10,13-20H2,1-2H3/b12-11-
• InChI Key: BVWMJLIIGRDFEI-QXMHVHEDSA-N
• Boiling Point: 216-220 °C
• Melting Point: -32.8 °C
• Flash Point: 330°F
• Density: 0.8699 g/cm3
• Appearance: Clear Liquid
• Alpha Sort: Propyl oleate
• Complexity: 271
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Exact Mass: 324.302830514
• Formal Charge: 0
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCC
• Isotope Atom Count: 0
• Monoisotopic Mass: 324.302830514
• Physical State: Liquid
• Rotatable Bond Count: 18
• Topological Polar Surface Area: 26.3 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0