CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | white to slightly yellow liquid with a sweet, red berry characteristic odour |
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Solubility | soluble in alcohol, propylene glycol and most fixed oils; insoluble in water |
Density | 0.972-0.992 |
Refractive Index | 1.408-1.429 |
Kovats Retention Index | 1038.3 1036 1038 1038 1044 |
COMPUTED DESCRIPTORS
Molecular Weight | 158.19 g/mol |
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XLogP3 | 1.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
Exact Mass | 158.094294304 g/mol |
Monoisotopic Mass | 158.094294304 g/mol |
Topological Polar Surface Area | 43.4 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 151 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-Methyl-2-oxopropyl butyrate is a fatty acid ester.