121-98-2
Product Name:
Methyl anisate
Formula:
C9H10O3
Synonyms:
p-Anisic acid methyl ester;Methyl 4-methoxybenzoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 244.00 to 245.00 °C. @ 760.00 mm Hg |
| Melting Point | 48 °C |
| Solubility | 0.643 mg/mL at 20 °C |
| LogP | 2.27 |
| Kovats Retention Index | 1322 1357 1350 1386 1358 1333 1333 1336 1336 1354 1375 1320 1337 1337 1337 1335 1345 1341.3 |
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 166.17 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 166.062994177 g/mol |
| Monoisotopic Mass | 166.062994177 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148 |
| 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
Methyl p-anisate is a benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol. It is a benzoate ester and a monomethoxybenzene. It is functionally related to a 4-methoxybenzoic acid.