Pentanoate
[CAS# 10023-74-2]

Identification

• Name: Pentanoate
• Synonyms: Valerate; Pentanoic Acid, Ion(1-); Zinc01532752
• Molecular Formula: C₅H₉O₂
• Molecular Weight: 101.12
• CAS Registry Number: 10023-74-2
• SMILES: C(C)CCC([O-])=O
• InChI: 1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
• InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-M

Properties

• Boiling point: 185.259°C at 760 mmHg (Cal.)
• Flash point: 80.521°C (Cal.)

References

• (1): Tatyana Rodionova, Vladislav Komarov, Janusz Lipkowski and Natalia Kuratieva. The structure of the ionic clathrate hydrate of tetrabutylammonium valerate (CH)NCHCO·39.8HO, New J. Chem., 2010, 34, 432.