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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Isoamyl 4-Hydroxybenzoate - ≥98% , CAS No.6521-30-8
Disponível para encomenda
Synonyms
iso-Amyl-4-hydroxybenzoate | ISOPENTYL PARA-HYDROXYBENZOATE | 4-Hydroxybenzoic Acid Isoamyl Ester | Benzoic acid, p-hydroxy-, isopentyl ester | 4-hydroxy-benzoic acid 3-methylbutyl ester | MFCD00017502 | AS-59121 | ISOPENTYL P-HYDROXYBENZOATE | 1H-Imidazo
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Why this grade ≥98% 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
iso-Amyl-4-hydroxybenzoate | ISOPENTYL PARA-HYDROXYBENZOATE | 4-Hydroxybenzoic Acid Isoamyl Ester | Benzoic acid, p-hydroxy-, isopentyl ester | 4-hydroxy-benzoic acid 3-methylbutyl ester | MFCD00017502 | AS-59121 | ISOPENTYL P-HYDROXYBENZOATE | 1H-Imidazo
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores Sorrisos canónicos
CC(C)CCOC(=O)C1=CC=C(C=C1)O
IUPAC Name
3-methylbutyl 4-hydroxybenzoate
InChIKey
KSHVDKDQYBNSAN-UHFFFAOYSA-N
INCHI
1S/C12H16O3/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3
SMILES isoméricas
CC(C)CCOC(=O)C1=CC=C(C=C1)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2722437&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 Benzoic acid esters - p-Hydroxybenzoic acid esters Direct Parent p-Hydroxybenzoic acid alkyl esters Alternative Parents Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-hydroxybenzoic acid alkyl ester - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 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 p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Solubilidade Soluble in Methanol Ponto de ebulição (°C) 242°C(lit.) Ponto de fusão (°C) 62 °C Peso molecular 208.250 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 208.11 Da Monoisotopic Mass 208.11 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 193.000 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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