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· · COA & SDS Disponible para cada producto · Envío el mismo día para artículos en stock 2-Phenylethyl Isobutyrate - ≥98%(GC) , CAS No.103-48-0
Synonyms
.beta.-Phenylethyl isobutyrate | DTXCID5024764 | PHENETHYL ISOBUTYRATE [FCC] | CAS-103-48-0 | Isobutyric Acid 2-Phenylethyl Ester | Phenethyl 2-methylpropionate | AI3-18545 | beta-Phenylethyl isobutyrate | CHEBI:87409 | 2-methyl-propionic acid phenethyl e
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Why this grade ≥98%(GC) 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
.beta.-Phenylethyl isobutyrate | DTXCID5024764 | PHENETHYL ISOBUTYRATE [FCC] | CAS-103-48-0 | Isobutyric Acid 2-Phenylethyl Ester | Phenethyl 2-methylpropionate | AI3-18545 | beta-Phenylethyl isobutyrate | CHEBI:87409 | 2-methyl-propionic acid phenethyl e
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180514
Sonrisas canónicas
CC(C)C(=O)OCCC1=CC=CC=C1
IUPAC Name
2-phenylethyl 2-methylpropanoate
InChIKey
JDQVBGQWADMTAM-UHFFFAOYSA-N
INCHI
1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
Isómeros SMILES
CC(C)C(=O)OCCC1=CC=CC=C1
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 Benzenoids Clase Benzene and substituted derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound Descripción 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 carboxylic ester 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Insoluble in water; Soluble in Alcohol Índice de refracción 1.4873 Punto de inflamación (°F) 226.4 °F Punto de inflamación (°C) 100°C Punto de ebullición (°C) 250 °C Peso molecular 192.250 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 192.115 Da Monoisotopic Mass 192.115 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 169.000 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
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