Tripropyl citrate

• CAS: 1587-21-9
• Catalog Number: ACM1587219-1
• Category: Other Products
• Molecular Weight: 318.36
• Molecular Formula: C15H26O7
• Synonyms: Citric acid tri-N-propyl ester
• IUPAC Name: Tripropyl 2-hydroxypropane-1,2,3-tricarboxylate
• Canonical SMILES: CCCOC(=O)CC(CC(=O)OCCC)(C(=O)OCCC)O
• InChI: InChI=1S/C15H26O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h19H,4-11H2,1-3H3
• InChI Key: ODHUFJLMXDXVRC-UHFFFAOYSA-N
• Boiling Point: 198 °C
• Flash Point: 109 °C
• Density: 1.08 g/cm3
• Complexity: 343
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 216-450-8
• Exact Mass: 318.16785316
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 1
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 318.16785316
• Physical State: Liquid
• Rotatable Bond Count: 14
• Topological Polar Surface Area: 99.1 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0