CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colourless to pale yellow liquid; Oily, fruity, floral petal, jasmin, peach, apricot aroma |
|---|---|
| Solubility | Practically insoluble or insoluble in water |
| Density | 0.975-1.007 (20°) |
| Refractive Index | 1.470-1.480 |
| Kovats Retention Index | 2163 |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.23 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 168.115029749 g/mol |
| Monoisotopic Mass | 168.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 173 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Jasmolactone is a member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a pent-2-en-5-yl group at position 6. It is used as a flavouring agent and as an ingredient in perfumes. It has a role as a flavouring agent, a fragrance and a plant metabolite. It is a member of 2-pyranones and an olefinic compound.