CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless to very pale yellow-greenish viscous liquid; odour of rose absolute with honey-like undertone |
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Solubility | Insoluble in water; soluble in oils |
Density | 0.965-0.972 |
Refractive Index | 1.494-1.505 |
COMPUTED DESCRIPTORS
Molecular Weight | 274.4 g/mol |
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XLogP3 | 5.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 10 |
Exact Mass | 274.193280068 g/mol |
Monoisotopic Mass | 274.193280068 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 290 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
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
(3S)-3,7-dimethyloct-7-en-1-yl phenylacetate is a carboxylic ester resulting from the formal condensation of phenylacetic acid with (3S)-3,7-dimethyloct-7-en-1-ol. It has a role as a flavouring agent. It is a carboxylic ester and an olefinic compound. It is functionally related to a phenylacetic acid.