Pentanoic acid, 4-oxo-, 2-methylpropyl ester
CAS Registry Number®
3757-32-2
CAS Name
Pentanoic acid, 4-oxo-, 2-methylpropyl esterMolecular Formula
C9H16O3Molecular Mass
172.22Cite this Page
Pentanoic acid, 4-oxo-, 2-methylpropyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=3757-32-2 (retrieved ) (CAS RN: 3757-32-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
228 °CDensity (2)
0.97047 g/cm³ @ Temp: 20 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Sah, Peter P. T.; Journal of the American Chemical Society, (1930), 52, 4880-3, CAplus
Other Names and Identifiers
InChI
InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3
InChIKey
InChIKey=WETOYPNHZMSVFZ-UHFFFAOYSA-N
SMILES
C(CCC(C)=O)(OCC(C)C)=O
Canonical SMILES
O=C(OCC(C)C)CCC(=O)C
Other Names for this Substance
- Pentanoic acid, 4-oxo-, 2-methylpropyl ester
- Levulinic acid, isobutyl ester
- Isobutyl 4-oxopentanoate
- Isobutyl levulinate
- NSC 40954
