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544-12-7

544-12-7 structural image
Product Name: TRANS-3-HEXEN-1-OL
Formula: C6H12O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; Grassy green aroma
Solubility Soluble in water and most fixed oils
Density 0.830-0.845
Refractive Index 1.437-1.442
Kovats Retention Index 853 827 823 823 832 842.3 850 814 855 845 843 840 824 831 853 853 873 824 831 853 853 873 889 892 833 854 842 836 836 836 830 830 825 826 829 830 830 844 814

COMPUTED DESCRIPTORS

Molecular Weight 100.16 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 100.088815002 g/mol
Monoisotopic Mass 100.088815002 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 48.1
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Hex-3-en-1-ol is a primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1. It has a role as a plant metabolite. It is an alkenyl alcohol, a homoallylic alcohol, a primary alcohol and a volatile organic compound.