94-81-5
Product Name:
MCPB
Formula:
C11H13ClO3
Synonyms:
4-(4-Chloro-o-tolyloxy)butyric acid;4-(4-Chloro-2-methylphenoxy)butyric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless or white solid; Technical product is beige to brown solid; [HSDB] Cream to pale brown solid; [MSDSonline] |
|---|---|
| Color/Form | WHITE SOLID |
| Boiling Point | >280 °C |
| Melting Point | 100 °C; (technical 95-100 °C) |
| Solubility | SLIGHTLY SOL IN CARBON TETRACHLORIDE OR BENZENE; SOL IN ... ETHER |
| Vapor Pressure | 0.00000043 [mmHg] |
| LogP | log Kow = 2.79 (unstated pH) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride/. |
| Corrosivity | Noncorrosive |
| pH | Acid |
| Dissociation Constants | pKa = 4.84 |
| Kovats Retention Index | 1820 1866.5 |
| Other Experimental Properties | Form water-sol alkali metal and amine salts, though precipitation occurs with hard water |
| Chemical Classes | Pesticides -> Herbicides, Chlorophenoxy |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 228.67 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 228.0553220 g/mol |
| Monoisotopic Mass | 228.0553220 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 208 |
| 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-methyl-4-chlorophenoxybutyric acid is a monocarboxylic acid that is butyric acid substituted by a 2-methyl-4-chlorophenoxy group at position 4. It has a role as a xenobiotic, an environmental contaminant and a phenoxy herbicide. It is an aromatic ether, a member of monochlorobenzenes and a monocarboxylic acid.