CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White to off-white powder |
|---|---|
| Melting Point | 141-146 °C /Emamectin benzoate/ |
| Solubility | log Kow: 5.9 at pH 9; water solubility: 0.1 mg/L at pH 9 |
| Density | 1.20 at 23 °C /Emamectin benzoate/ |
| Vapor Pressure | 3.8X10-8 mm Hg at 21 °C /Emamectin benzoate/ |
| LogP | log Kow = 5.0 at pH 7 /Emamectin benzoate/ |
| Optical Rotation | Specific optical rotation: -6.9 deg (c = 0.5% in methanol) |
| Decomposition | When heated to decomposition it emits toxic vapors of /Nitrogen oxide/. |
| Dissociation Constants | pKa: 4.18 (acidic, attributed to benzoate counter ion), 8.71 (basic, attributed to emamectin moiety) |
| Other Experimental Properties | log Kow: 3.0 (pH 5.1); pKa: 4.2, 7.6; water solubility: 0.32 mg/mL at pH 5 /Emamectin benzoate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 886.1 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 9 |
| Exact Mass | 885.52384145 g/mol |
| Monoisotopic Mass | 885.52384145 g/mol |
| Topological Polar Surface Area | 162 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1750 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 20 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Emamectin B1a is a member of emamectins.