CAS Registry Number®
97-85-8
CAS Name
Isobutyl isobutyrate
Molecular Formula
C8H16O2
Molecular Mass
144.21
Compound Properties
-
Boiling Point (1)
148.6 °C
-
Melting Point (1)
-80.66 °C
-
Density (1)
0.8750 g/cm³ @ Temp: 0 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
InChIKey
InChIKey=RXGUIWHIADMCFC-UHFFFAOYSA-N
SMILES
C(OCC(C)C)(C(C)C)=O
Canonical SMILES
O=C(OCC(C)C)C(C)C
Other Names for this Substance
- Propanoic acid, 2-methyl-, 2-methylpropyl ester
- Isobutyric acid, isobutyl ester
- Isobutyl isobutyrate
- 2-Methylpropyl isobutyrate
- 2-Methylpropyl 2-methylpropanoate
- 2-Methylpropyl 2-methylpropionate
- 2-Methylpropionic acid isobutyl ester
- Isobutyl isobutanoate
- NSC 6538
