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5947-36-4

5947-36-4 structural image
Product Name: PINOCARVEOL
Formula: C10H16O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Viscous, light yellow oil; Warm, woody-balsamic aroma
Boiling Point 210.00 °C. @ 760.00 mm Hg
Solubility Soluble in oils; Insoluble in water
Density 0.977-0.983
Refractive Index 1.445-1.451
Kovats Retention Index 1152 1109 1146 1139 1128 1117 1141 1132 1135 1176 1198 1176 1176

COMPUTED DESCRIPTORS

Molecular Weight 152.23 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 152.120115130 g/mol
Monoisotopic Mass 152.120115130 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 205
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Pinocarveol is a pinane monoterpenoid that is a bicyclo[3.1.1]heptane substituted by two methyl groups at position 6, a methylidene group at position 2 and a hydroxy group at position 3. It has a role as a GABA modulator, a plant metabolite, a volatile oil component and a mouse metabolite. It is a pinane monoterpenoid, a secondary alcohol and a carbobicyclic compound.