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· · COA & SDS Disponible para cada producto · Envío el mismo día para artículos en stock n-Octyl 4-Hydroxybenzoate - ≥98% , CAS No.1219-38-1
Synonyms
DTXCID0027933 | O0443 | AKOS015856355 | p-Oxybenzoesaureoctylester | MFCD00016482 | Octylparaben | Octyl4-hydroxybenzoate | NCGC00258462-01 | A804816 | BDBM86377 | Q27260531 | BENZOIC ACID, p-HYDROXY-, OCTYL ESTER | n-Octyl-4-hydroxybenzoate | NSC 309820
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Why this grade ≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general Application
n-Octyl 4-hydroxybenzoate is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields
Specifications Sinónimos
DTXCID0027933 | O0443 | AKOS015856355 | p-Oxybenzoesaureoctylester | MFCD00016482 | Octylparaben | Octyl4-hydroxybenzoate | NCGC00258462-01 | A804816 | BDBM86377 | Q27260531 | BENZOIC ACID, p-HYDROXY-, OCTYL ESTER | n-Octyl-4-hydroxybenzoate | NSC 309820
Especificaciones y pureza
≥98%
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 Sonrisas canónicas
CCCCCCCCOC(=O)C1=CC=C(C=C1)O
IUPAC Name
octyl 4-hydroxybenzoate
InChIKey
RIKCMEDSBFQFAL-UHFFFAOYSA-N
INCHI
1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3
Isómeros SMILES
CCCCCCCCOC(=O)C1=CC=C(C=C1)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2807114&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 - 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 Descripción 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.
Estructura 3D Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in alcohol, phenoxy ethanol and propylene glycol. Insoluble in water Punto de ebullición (°C) 172°C/0.1mmHg(lit.) Punto de fusión (°C) 53 °C Peso molecular 250.330 g/mol XLogP3 5.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 9 Exact Mass 250.157 Da Monoisotopic Mass 250.157 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 220.000 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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