CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] Fine faintly yellow crystals; [MSDSonline] |
|---|---|
| Color/Form | MONOCLINIC NEEDLES FROM WATER |
| Boiling Point | 296 °C @ 760 MM HG |
| Melting Point | 62-63 °C |
| Solubility | Yellow to medium brown, moderately viscous liquid with a pleasant, spicy aromatic odor. Acid value: max 4. Ester value: 3-20. Solubility 1 vol in 5 vol of 90% ethanol; solutions may be turbid /cis-asarone/ |
| Vapor Pressure | 0.0015 [mmHg] |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Refractive Index | INDEX OF REFRACTION: 1.5683 @ 20 °C/D; SADTLER REF NUMBER: 34263 (IR, PRISM) |
| Kovats Retention Index | 1646 1678 1638 1650 1678 1640 |
| Other Experimental Properties | Density: 0.940-0.980 at 25 °C/25 °C. Index of refraction: 1.5010-1.5160 at 20 °C/D. Specific optical rotation: -5 deg to +35 deg. /cis-asarone; European/ |
| Chemical Classes | Pesticides -> Other Insecticides |
COMPUTED DESCRIPTORS
| Molecular Weight | 208.25 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.109944368 g/mol |
| Monoisotopic Mass | 208.109944368 g/mol |
| Topological Polar Surface Area | 27.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 203 |
| 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
Alpha-asarone is the trans-isomer of asarone. It has a role as an anticonvulsant and a GABA modulator.