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4179-38-8

4179-38-8 structural image
Product Name: 2-N-OCTYLFURAN, 98
Formula: C12H20O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow liquid; [Alfa Aesar MSDS]
Kovats Retention Index 1281 1282 1284 1285
Chemical Classes Other Classes -> Ethers, Other

COMPUTED DESCRIPTORS

Molecular Weight 180.29 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 7
Exact Mass 180.151415257 g/mol
Monoisotopic Mass 180.151415257 g/mol
Topological Polar Surface Area 13.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 112
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

2-octylfuran is a member of the class of furans that is furan substituted by an octyl group at position 2. It has a role as a flavouring agent, a plant metabolite, a Maillard reaction product and a mammalian metabolite.