CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; powerful aroma with floral notes |
|---|---|
| Boiling Point | 201.00 to 202.00 °C. @ 760.00 mm Hg |
| Solubility | Insoluble in water; slightly soluble in fat |
| Density | 0.900-0.908 |
| Refractive Index | 1.472-1.478 |
| Kovats Retention Index | 1137 1137 1137 1138 1138 1138 1142 1140 1127 1161 1141 1127 1136 1143 1144 1127 1140 1140 1143 |
COMPUTED DESCRIPTORS
| Molecular Weight | 152.23 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 152.120115130 g/mol |
| Monoisotopic Mass | 152.120115130 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 185 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nerol oxide is a member of the class of pyrans that is 3,6-dihydro-2H-pyran which is substituted at positions 2 and 4 by a 2-methylprop-1-en-1-yl group and a methyl group, respectively. It has a role as a plant metabolite, a flavouring agent and an animal metabolite. It is a member of pyrans, an olefinic compound and a monoterpenoid. It is functionally related to a nerol.