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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Isoamyl Salicylate (contains 2-Methylbutyl Salicylate) - ≥95% , CAS No.87-20-7
Synonyms
NSC 7952 | Sanfoin | WLN: QR BVO2Y1&1 | Trefol | W-104039 | M25E4ZMR0N | Tressane | CHEBI:173601 | MFCD00020037 | Isoamylester kyseliny salicylove | Orchidee | 3-Methylbutyl o-hydroxybenzoate | ISOPENTYL ALCOHOL, SALICYLATE | Q2214309 | Salicylic Acid Iso
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
NSC 7952 | Sanfoin | WLN: QR BVO2Y1&1 | Trefol | W-104039 | M25E4ZMR0N | Tressane | CHEBI:173601 | MFCD00020037 | Isoamylester kyseliny salicylove | Orchidee | 3-Methylbutyl o-hydroxybenzoate | ISOPENTYL ALCOHOL, SALICYLATE | Q2214309 | Salicylic Acid Iso
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Pubchem Sid 488180186 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488180186 Sonrisas canónicas CC(C)CCOC(=O)C1=CC=CC=C1O IUPAC Name 3-methylbutyl 2-hydroxybenzoate InChIKey PMGCQNGBLMMXEW-UHFFFAOYSA-N INCHI 1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3 Isómeros SMILES CC(C)CCOC(=O)C1=CC=CC=C1O Peso molecular 208.25 Reaxy-Rn 2580465 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2580465&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 Benzoic acid esters Direct Parent o-Hydroxybenzoic acid esters Alternative Parents Salicylic acid and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - 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 o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy 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.
Estructura 3D Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Índice de refracción 1.51 Punto de inflamación (°C) 146 °C Punto de ebullición (°C) 276°C Peso molecular 208.250 g/mol XLogP3 4.600 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 201.000 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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