CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear colourless liquid; fruity aroma |
---|---|
Boiling Point | 114.00 to 115.00 °C. @ 15.00 mm Hg |
Solubility | insoluble in water; soluble in organic solvents |
Density | 0.897-0.905 |
Refractive Index | 1.453-1.461 |
Kovats Retention Index | 1401 1405 |
COMPUTED DESCRIPTORS
Molecular Weight | 196.29 g/mol |
---|---|
XLogP3 | 3.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 8 |
Exact Mass | 196.146329876 g/mol |
Monoisotopic Mass | 196.146329876 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 193 |
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
Cis-3-Hexenyl trans-2-hexenoate is a fatty acid ester.