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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Methyl benzoate - analytical standard, ≥99.5%(GC) , CAS No.93-58-3
Disponível para encomenda
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥99.5%(GC) Synonyms
CHEBI:72775 | Methyl benzoate (natural) | Clorius | CLORIUS- | Benzoic acid-methyl ester | NCGC00091665-01 | STK021498 | methyloxycarbonylbenzene | Benzoato de metilo | 6618K1VJ9T | EINECS 202-259-7 | Methyl-benzenecarboxylate | Methylbenzoate | benzoic a
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Why this grade analytical standard, ≥99.5%(GC) Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships FedEx DG Service 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 24 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
CHEBI:72775 | Methyl benzoate (natural) | Clorius | CLORIUS- | Benzoic acid-methyl ester | NCGC00091665-01 | STK021498 | methyloxycarbonylbenzene | Benzoato de metilo | 6618K1VJ9T | EINECS 202-259-7 | Methyl-benzenecarboxylate | Methylbenzoate | benzoic a
Especificações e pureza
analytical standard, ≥99.5%(GC)
Condições de armazenamento de armazenamento
Room temperature
Enviado em
FedEx DG Service
Nomes e identificadores Sorrisos canónicos
COC(=O)C1=CC=CC=C1
IUPAC Name
methyl benzoate
InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
INCHI
1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
SMILES isoméricas
COC(=O)C1=CC=CC=C1
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072099&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 Classe Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzoyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound Descrição This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. External Descriptors an aromatic compound 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.
Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Sensibilidade Moisture sensitive. Índice de refração 1.516-1.518 Ponto de inflamação (°F) 82℃ Ponto de inflamação (°C) 82℃ Ponto de ebulição (°C) 198～200°C Ponto de fusão (°C) -12°C Peso molecular 136.150 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 136.052 Da Monoisotopic Mass 136.052 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 114.000 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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