CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow oily liquid with sweet, fruity, winey, fermented apple-like odour |
|---|---|
| Solubility | insoluble in water; soluble in alcohol and oil |
| Density | 0.958-0.966 |
| Refractive Index | 1.426-1.433 |
COMPUTED DESCRIPTORS
| Molecular Weight | 238.32 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 238.15689456 g/mol |
| Monoisotopic Mass | 238.15689456 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 320 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Geranyl acetoacetate is a monoterpenoid that is the carboxylic ester obtained by the formal condensation of geraniol with acetoacetic acid. It has a role as a human blood serum metabolite. It is a monoterpenoid and a carboxylic ester. It is functionally related to a geraniol and an acetoacetic acid.