Butanoic acid, 3-oxo-, cyclohexyl ester
CAS Registry Number®
6947-02-0
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CAS Name
Butanoic acid, 3-oxo-, cyclohexyl esterMolecular Formula
C10H16O3Molecular Mass
184.23Cite this Page
Butanoic acid, 3-oxo-, cyclohexyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6947-02-0 (retrieved ) (CAS RN: 6947-02-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
130-131 °C @ Press: 16 TorrMelting Point (2)
190-192 °C
Source(s)
- (1) Bader, Alfred R.; Journal of the American Chemical Society, (1951), 73, 4195-7, CAplus
- (2) Aki, Esin; QSAR and Molecular Modelling in Rational Design of Bioactive Molecules, Proceedings of the European Symposium on Structure-Activity Relationships (QSAR) and Molecular Modelling, 15th, Istanbul, Turkey, Sept. 5-10, 2004, (2006), 164-165, CAplus
Other Names and Identifiers
InChI
InChI=1S/C10H16O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKey
InChIKey=GJOSRMAVDXJBCZ-UHFFFAOYSA-N
SMILES
O(C(CC(C)=O)=O)C1CCCCC1
Canonical SMILES
O=C(OC1CCCCC1)CC(=O)C
Other Names for this Substance
- Butanoic acid, 3-oxo-, cyclohexyl ester
- Acetoacetic acid, cyclohexyl ester
- Cyclohexyl acetoacetate
- Cyclohexyl 3-oxobutyrate
- Cyclohexyl 3-oxobutanoate
