CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; powerful aroma with floral notes |
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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 |
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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.