4358-88-7
Product Name:
ETHYL MANDELATE
Formula:
C10H12O3
Synonyms:
Ethyl α-hydroxyphenylacetate, Mandelic acid ethyl ester;Ethyl mandelate
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Melting point = 35 deg C; [ChemIDplus] Colorless liquid; [Alfa Aesar MSDS] |
|---|---|
| Vapor Pressure | 0.00026 [mmHg] |
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 180.20 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 180.078644241 g/mol |
| Monoisotopic Mass | 180.078644241 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 162 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl hydroxy(phenyl)acetate is the ethyl ester of mandelic acid. It is an ethyl ester and a secondary alcohol. It is functionally related to a mandelic acid.