CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1757 1756 1766 1772 1778.79 1764 1755 1758 1762 1774 1777 1756 1764 1772 1745 1755 1745 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 234.33 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 234.161979940 g/mol |
| Monoisotopic Mass | 234.161979940 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 195 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Octyl benzoate is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of octan-1-ol. It is found in the leaves of lemon balm. It has a role as a fragrance and a plant metabolite. It is functionally related to a benzoic acid and an octan-1-ol.