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27458-94-2

27458-94-2 structural image
Product Name: isononyl alcohol
Formula: C9H20O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Kovats Retention Index 1138 1140

COMPUTED DESCRIPTORS

Molecular Weight 144.25 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 6
Exact Mass 144.151415257 g/mol
Monoisotopic Mass 144.151415257 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 59.7
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

7-methyloctan-1-ol is a primary alcohol that is octane which is substituted by a methyl group at position 7 and a hydroxy group at position 1. It is a fragrance ingredient. It has a role as a fragrance.