2306-33-4
Product Name:
ETHYL PHTHALATE MONO
Formula:
C10H10O4
Synonyms:
1,2-Benzenedicarboxylic acid, monoethyl ester;Ethyl 2-carboxybenzoate;Monoethyl Phthalate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 147.7 Ų [M-H]- 154.7 Ų [M+Na]+ |
| Kovats Retention Index | 1651 |
COMPUTED DESCRIPTORS
| Molecular Weight | 194.18 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.05790880 g/mol |
| Monoisotopic Mass | 194.05790880 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 224 |
| 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
Monoethyl phthalate is a phthalic acid monoester resulting from the condensation of one of the carboxy groups of phthalic acid with ethanol. It has a role as a metabolite. It is an ethyl ester and a phthalic acid monoester.