Butyl ricinoleate

• Catalog Number: ACM151133-1
• Product Name: Butyl ricinoleate
• CAS: 151-13-3
• Category: Polymer/Macromolecule
• Synonyms: (R,Z)-Butyl 12-hydroxyoctadec-9-enoate
• IUPAC Name: Butyl (Z,12R)-12-hydroxyoctadec-9-enoate
• Molecular Weight: 354.6
• Molecular Formula: C22H42O3
• Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)O
• InChI: InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1
• InChI Key: HGWAKQDTQVDVRP-OKULMJQMSA-N
• Boiling Point: 185 °C
• Melting Point: -10°C
• Flash Point: 115 °C
• Density: 0.919 g/cm3
• Alpha Sort: Butyl ricinoleate
• Complexity: 312
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Exact Mass: 354.3133952
• Formal Charge: 0
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCC)O
• Isotope Atom Count: 0
• Monoisotopic Mass: 354.3133952
• Physical State: Liquid
• Rotatable Bond Count: 19
• Topological Polar Surface Area: 46.5 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 0.3cs (25°C)