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1115-11-3

1115-11-3 structural image
Product Name: Tiglic aldehyde
Formula: C5H8O
Synonyms: (E)-2-Methylbut-2-enal;trans-2,3-Dimethylacrolein;trans-2-Methyl-2-butenal;Tiglic aldehyde;Tiglinaldehyde
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; penetrating, powerful green ethereal aroma
Solubility Slightly soluble in water; soluble in ether and most oils
Density 0.868-0.873 (20°)
Refractive Index 1.445-1.450
Chemical Classes Other Classes -> Aldehydes

COMPUTED DESCRIPTORS

Molecular Weight 84.12 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 84.057514874 g/mol
Monoisotopic Mass 84.057514874 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 72
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

Tiglic aldehyde is a natural product found in Glycyrrhiza glabra with data available.