≥98%(HPLC) 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488191639 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191639 |
| Canonical Smiles | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| IUPAC Name | benzyl (2R)-2-hydroxy-2-phenylacetate |
| InChIKey | JFKWZVQEMSKSBU-CQSZACIVSA-N |
| INCHI | 1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)[C@@H](C2=CC=CC=C2)O |
| WGK Germany | 3 |
| Molecular Weight | 242.27 |
| Beilstein | 10(4)573 |
| Reaxy-Rn | 2379578 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2379578&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 | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - 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 benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Specific Rotation[α] | -34° (C=1,CH3CN) |
|---|---|
| Melt Point(°C) | 107 °C |
| Molecular Weight | 242.270 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 242.094 Da |
| Monoisotopic Mass | 242.094 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 252.000 |
| 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 |
| 1. Li Yuchen, Xu Guangfu, Chen Jiaquan, Yu Tao, Miao Pandeng, Du Yingxiang. (2023) One-step synthesis of chiral molecularly imprinted polymer TiO2 nanoparticles for enantioseparation of phenylalanine in coated capillary electrochromatography. MICROCHIMICA ACTA, 190 (7): (1-11). [PMID:37391671] [10.1007/s00604-023-05854-4] |
| 2. Zhiqiang Wang, Siqi Duan, Bin Fang, Zhenxiang Liu, Ruiting Zhang, Lin Ma, Ke Lin. (2022) Identification of the Molecular Structure of Mandelic Acid in Solid and Aqueous Solutions by Raman Spectra in the C-H/C-D Stretching Region. VIBRATIONAL SPECTROSCOPY, [PMID:] [10.1016/j.vibspec.2022.103382] |
| 3. Jianjian Zhao, Yaqing Liu, Aiyou Hao, Pengyao Xing. (2020) High-Throughput Synthesis of Chiroptical Nanostructures from Synergistic Hydrogen-Bonded Coassemblies. ACS Nano, [PMID:32040311] [10.1021/acsnano.0c00352] |
E2327573