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1117-52-8

1117-52-8 structural image
Product Name: (5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
Formula: C18H30O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless or pale straw-coloured oily liquid; intensely sweet, floral odour
Solubility soluble in water; soluble in oils
Density 0.885-0.895
Refractive Index 1.478-1.483
Kovats Retention Index 1893 1892 1914 1895 1895

COMPUTED DESCRIPTORS

Molecular Weight 262.4 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 9
Exact Mass 262.229665576 g/mol
Monoisotopic Mass 262.229665576 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 352
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Farnesyl acetone is a terpene ketone in which an (E,E)-farnesyl group is bonded to one of the alpha-methyls of acetone. It has a role as a hormone and a metabolite. It contains a 2-trans,6-trans-farnesyl group.