Heptyl 3-oxobutanoate
CAS Registry Number®
42598-96-9
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CAS Name
Heptyl 3-oxobutanoateMolecular Formula
C11H20O3Molecular Mass
200.27Cite this Page
Heptyl 3-oxobutanoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=42598-96-9 (retrieved ) (CAS RN: 42598-96-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
78-80 °C @ Press: 0.4 Torr
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C11H20O3/c1-3-4-5-6-7-8-14-11(13)9-10(2)12/h3-9H2,1-2H3
InChIKey
InChIKey=YAVJSVDUZGIQPQ-UHFFFAOYSA-N
SMILES
C(OCCCCCCC)(CC(C)=O)=O
Canonical SMILES
O=C(OCCCCCCC)CC(=O)C
Other Names for this Substance
- Butanoic acid, 3-oxo-, heptyl ester
- Heptyl 3-oxobutanoate
- Heptyl acetoacetate
- n-Heptyl acetylacetate
- NSC 33607
