CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Liquid |
|---|---|
| Odor | Characteristic |
| Boiling Point | 321 °C at 101.325 kPa |
| Melting Point | -50 °C at 101.325 kPa |
| Solubility | In water, 0.085 mg/L |
| Density | 0.979 at 20 °C |
| Vapor Pressure | VP: 7.5X10-5 mm Hg at 20 °C (0.01 Pa) |
| LogP | log Kow = 8.1 |
| Refractive Index | Index of refraction = 1.5301 at 20 °C/D |
| Kovats Retention Index | 1829.2 1829.9 |
| Other Experimental Properties | log Kow = 5.7-6 at 35 °C, pH 7 |
COMPUTED DESCRIPTORS
| Molecular Weight | 258.4 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 258.198365449 g/mol |
| Monoisotopic Mass | 258.198365449 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 355 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Traseolide is an indane derivative in which the indane skeleton is substituted by geminal methyl groups at C-1, by single methyl groups at C-2 and C-6, by an isopropyl group at C-3 and by an acetyl group at C-6. It is a constituent of musk odorant. It has a role as an odorant receptor agonist and a fragrance. It is a member of indanes, a methyl ketone and an aromatic ketone.