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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-hydroxy-2-phenylpropanoate - ≥95% , CAS No.3967-53-1
Synonyms
A-(hydroxymethyl)-, methyl ester | DTXSID20286127 | methyl 3-hydroxy-2-phenylpropionate | methyl 3-hydroxy-2-phenylpropanoate | EN300-25988426 | Methyl tropate | MFCD09753766 | SY224842 | Benzeneacetic acid, alpha-(hydroxymethyl)-, methyl ester | Methyl t
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
A-(hydroxymethyl)-, methyl ester | DTXSID20286127 | methyl 3-hydroxy-2-phenylpropionate | methyl 3-hydroxy-2-phenylpropanoate | EN300-25988426 | Methyl tropate | MFCD09753766 | SY224842 | Benzeneacetic acid, alpha-(hydroxymethyl)-, methyl ester | Methyl t
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas
COC(=O)C(CO)C1=CC=CC=C1
IUPAC Name
methyl 3-hydroxy-2-phenylpropanoate
InChIKey
OLEWRQVKIUHEJP-UHFFFAOYSA-N
INCHI
1S/C10H12O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
Isómeros SMILES
COC(=O)C(CO)C1=CC=CC=C1
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2938918&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Clase Hydroxy acids and derivatives Subclass Beta hydroxy acids and derivatives Intermediate Tree Nodes Not available Direct Parent Beta hydroxy acids and derivatives Alternative Parents Benzene and substituted derivatives Methyl esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Beta-hydroxy acid - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de inflamación (°F) Not applicable Punto de inflamación (°C) Not applicable Peso molecular 180.200 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 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 162.000 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
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