CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 110.00 to 112.00 °C. @ 3.00 mm Hg |
| Melting Point | < 25 °C |
| Solubility | 110 mg/L @ 20 °C (exp) |
| Density | 0.932-0.939 |
| Refractive Index | 1.497-1.503 |
| Kovats Retention Index | 1545.9 |
COMPUTED DESCRIPTORS
| Molecular Weight | 206.32 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.167065321 g/mol |
| Monoisotopic Mass | 206.167065321 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 307 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Alpha-irone is a methyl ketone that is alpha-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group. It is a methyl ketone and an enone. It is functionally related to an alpha-ionone.