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1786-08-9

1786-08-9 structural image
Product Name: FEMA 3661
Formula: C10H16O
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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.

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