≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488187303 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187303 |
| Canonical Smiles | CC(C1=CC=C(C=C1)O)C(=O)O |
| IUPAC Name | 2-(4-hydroxyphenyl)propanoic acid |
| InChIKey | ZHMMPVANGNPCBW-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) |
| Isomeric SMILES | CC(C1=CC=C(C=C1)O)C(=O)O |
| Molecular Weight | 166.18 |
| Beilstein | 10(4)656 |
| Reaxy-Rn | 2091472 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091472&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 | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-phenylpropanoic-acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | monocarboxylic acid |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2306568 | Certificate of Analysis | Mar 24, 2023 | H156996 |
| D2306570 | Certificate of Analysis | Mar 24, 2023 | H156996 |
| D2306571 | Certificate of Analysis | Mar 24, 2023 | H156996 |
| D2306572 | Certificate of Analysis | Mar 24, 2023 | H156996 |
| D2306581 | Certificate of Analysis | Mar 24, 2023 | H156996 |
| D2306599 | Certificate of Analysis | Mar 24, 2023 | H156996 |
| G2502587 | Certificate of Analysis | Mar 24, 2023 | H156996 |
| J2522222 | Certificate of Analysis | Mar 24, 2023 | H156996 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 131 °C |
| Molecular Weight | 166.170 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 166.063 Da |
| Monoisotopic Mass | 166.063 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Tingting Lin, Ben Chen, Liqun Fang, Haibo You, Chu Chu, Qingsong Shao, Shengqiang Tong. (2022) Solvent strength of organic phase for two biphasic solvent systems in high speed countercurrent chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:36037578] [10.1016/j.chroma.2022.463422] |
