CAS Registry Number®
868-57-5
CAS Name
(±)-Methyl 2-methylbutanoate
Molecular Formula
C6H12O2
Molecular Mass
116.16
Compound Properties
-
Boiling Point (1)
112-115 °C
-
Density (2)
0.8757 g/cm³ @ Temp: 25 °C
Source(s)
- (1) Doering, W. v. E.; Journal of the American Chemical Society, (1953), 75, 393-7, CAplus
- (2) Freudenberg, Karl; Justus Liebigs Annalen der Chemie, (1955), 594, 76-88, CAplus
Other Names and Identifiers
InChI
InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey
InChIKey=OCWLYWIFNDCWRZ-UHFFFAOYSA-N
SMILES
C(C(OC)=O)(CC)C
Canonical SMILES
O=C(OC)C(C)CC
Other Names for this Substance
- Butanoic acid, 2-methyl-, methyl ester
- Butyric acid, 2-methyl-, methyl ester
- Butyric acid, α-methyl-, methyl ester
- Methyl 2-methylbutyrate
- Methyl α-methylbutyrate
Deleted or Replaced CAS Registry Numbers
53955-81-0
