≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488192294 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192294 |
| Canonical Smiles | COC(=O)C(C1=CC=CC=C1)O |
| IUPAC Name | methyl (2R)-2-hydroxy-2-phenylacetate |
| InChIKey | ITATYELQCJRCCK-MRVPVSSYSA-N |
| INCHI | 1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m1/s1 |
| Isomeric SMILES | COC(=O)[C@@H](C1=CC=CC=C1)O |
| WGK Germany | 3 |
| Molecular Weight | 166.17 |
| Beilstein | 2937343 |
| Reaxy-Rn | 2047558 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047558&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 H2112165 | Certificate of Analysis | May 07, 2025 | M107989 |
| H2112181 | Certificate of Analysis | May 07, 2025 | M107989 |
| H2112183 | Certificate of Analysis | May 07, 2025 | M107989 |
| L2424013 | Certificate of Analysis | Dec 07, 2024 | M107989 |
| L2424014 | Certificate of Analysis | Dec 07, 2024 | M107989 |
| L2424015 | Certificate of Analysis | Dec 07, 2024 | M107989 |
| J2429525 | Certificate of Analysis | Jun 17, 2024 | M107989 |
| J2429526 | Certificate of Analysis | Jun 17, 2024 | M107989 |
| I1502004 | Certificate of Analysis | May 06, 2023 | M107989 |
| D2318261 | Certificate of Analysis | Jul 30, 2021 | M107989 |
| Specific Rotation[α] | -145 ° (C=1, MeOH) |
|---|---|
| Melt Point(°C) | 56-58°C |
| Molecular Weight | 166.170 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 166.063 Da |
| Monoisotopic Mass | 166.063 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 150.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
