CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow liquid/sweet, herbaceous, green, rose odour |
|---|---|
| Boiling Point | 113.00 to 114.00 °C. @ 15.00 mm Hg |
| Solubility | insoluble in water |
| Density | 0.916-0.917 (15°) |
| LogP | 3.250 |
| Refractive Index | 1.456-1.458 |
| Kovats Retention Index | 1272 1266 1267 1265 1256 1272 1261 1264 1268 1271 1263 1267 1267 1259 1267 |
COMPUTED DESCRIPTORS
| Molecular Weight | 182.26 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 182.130679813 g/mol |
| Monoisotopic Mass | 182.130679813 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 198 |
| 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
Neryl formate is a natural product found in Pelargonium ternifolium, Pelargonium quercifolium, and other organisms with data available.