CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
---|---|
Melting Point | 165 - 167 °C |
Solubility | Insoluble in water, soluble in ethanol, and miscible with essential oils and flavour materials |
Density | 0.882-0.887 |
Refractive Index | 1.422-1.427 |
Kovats Retention Index | 995 |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
COMPUTED DESCRIPTORS
Molecular Weight | 156.22 g/mol |
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XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 6 |
Exact Mass | 156.115029749 g/mol |
Monoisotopic Mass | 156.115029749 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 126 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Propenyl 2-ethylbutanoate is a fatty acid ester.