| Pubchem Sid | 488185230 |
|---|---|
| Canonical Smiles | CC1=C(C(=CC=C1)OCC(=O)O)C |
| IUPAC Name | 2-(2,3-dimethylphenoxy)acetic acid |
| InChIKey | AVDBMBYECMTQJQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O3/c1-7-4-3-5-9(8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12) |
| Isomeric SMILES | CC1=C(C(=CC=C1)OCC(=O)O)C |
| Molecular Weight | 180.205 |
| Reaxy-Rn | 2446457 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2446457&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenoxyacetic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxyacetic acid derivatives |
| Alternative Parents | o-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxyacetate - Phenol ether - Phenoxy compound - Xylene - O-xylene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2309536 | Certificate of Analysis | Feb 16, 2023 | D169333 |
| B2309565 | Certificate of Analysis | Feb 16, 2023 | D169333 |
| B2309625 | Certificate of Analysis | Feb 16, 2023 | D169333 |
| B2309614 | Certificate of Analysis | Feb 15, 2023 | D169333 |
| Melt Point(°C) | 185-187°C |
|---|---|
| Molecular Weight | 180.200 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 180.079 Da |
| Monoisotopic Mass | 180.079 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
