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2305-21-7

2305-21-7 structural image
Product Name: TRANS-2-HEXEN-1-OL
Formula: C6H12O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 158.00 to 160.00 °C. @ 760.00 mm Hg
Solubility Soluble in propylene glycol and most fixed oils; Very slightly soluble in water
Density 0.836-0.841
Refractive Index 1.437-1.442
Kovats Retention Index 848 845 845 846 856 833 849 850 845 847 849 849 850 851 854 855 855 859 859 860 860 863 870 845 846 837 858 851 854 854 840 845 845 849 853 853 856 863 856 856 849 854 845 841 845 849 843 840 853 853 853 870 845 849 832.8 855.4 848 850 850 850 858 845 857 860 843 844 845 846 844 844 844 846 845 844 850 841 854 824

COMPUTED DESCRIPTORS

Molecular Weight 100.16 g/mol
XLogP3 1.4
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

2-hexen-1-ol is a primary allylic alcohol that is 2-hexene in which a hydrogen at position 1 has been replaced by a hydroxy group. It has a role as a plant metabolite. It is an alkenyl alcohol and a primary allylic alcohol.