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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Allyl Benzoate - ≥98%(GC) , CAS No.583-04-0
Synonyms
Q27274068 | Allyl benzoate | NSC 32639 | Benzoic acid, allyl ester | MONOALLYL BENZOATE | B2041 | MFCD00026104 | CHEBI:183024 | SCHEMBL13158942 | NSC32639 | NSC-32639 | AQY5543KFE | UNII-AQY5543KFE | Benzoic Acid Allyl Ester | D88886 | ALLYLBENZOATE | NSC
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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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
Q27274068 | Allyl benzoate | NSC 32639 | Benzoic acid, allyl ester | MONOALLYL BENZOATE | B2041 | MFCD00026104 | CHEBI:183024 | SCHEMBL13158942 | NSC32639 | NSC-32639 | AQY5543KFE | UNII-AQY5543KFE | Benzoic Acid Allyl Ester | D88886 | ALLYLBENZOATE | NSC
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488181331 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181331 Sonrisas canónicas C=CCOC(=O)C1=CC=CC=C1 IUPAC Name prop-2-enyl benzoate InChIKey LYJHVEDILOKZCG-UHFFFAOYSA-N INCHI 1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2 Isómeros SMILES C=CCOC(=O)C1=CC=CC=C1 Peso molecular 162.19 Reaxy-Rn 2043396 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043396&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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 Solubilidad Soluble in Methanol Índice de refracción 1.5160 to 1.5190 Punto de ebullición (°C) 242°C Peso molecular 162.180 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 162.068 Da Monoisotopic Mass 162.068 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 157.000 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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