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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Diisononyl Adipate (mixture of branched chain isomers) - ≥99% , CAS No.33703-08-1
Synonyms
NCGC00247987-01 | CCRIS 2004 | EINECS 251-646-7 | Tox21_300291 | Bis(7-methyloctyl)adipate | Diisononyl hexanedioate | Bis(7-methyloctyl) hexanedioate, AldrichCPR | NCGC00254100-01 | DSSTox_RID_78631 | EC 251-646-7 | AYWLCKHHUFBVGJ-UHFFFAOYSA-N | CAS-3370
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
NCGC00247987-01 | CCRIS 2004 | EINECS 251-646-7 | Tox21_300291 | Bis(7-methyloctyl)adipate | Diisononyl hexanedioate | Bis(7-methyloctyl) hexanedioate, AldrichCPR | NCGC00254100-01 | DSSTox_RID_78631 | EC 251-646-7 | AYWLCKHHUFBVGJ-UHFFFAOYSA-N | CAS-3370
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488195763 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488195763 Sonrisas canónicas CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C IUPAC Name bis(7-methyloctyl) hexanedioate InChIKey AYWLCKHHUFBVGJ-UHFFFAOYSA-N INCHI 1S/C24H46O4/c1-21(2)15-9-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-6-10-16-22(3)4/h21-22H,5-20H2,1-4H3 Isómeros SMILES CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C Reaxy-Rn 13146111 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13146111&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 Lipids and lipid-like molecules Clase Fatty Acyls Subclass Fatty alcohol esters Intermediate Tree Nodes Not available Direct Parent Fatty alcohol esters Alternative Parents Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Fatty alcohol ester - Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Índice de refracción 1.45 Punto de inflamación (°C) 232 °C Peso molecular 398.600 g/mol XLogP3 7.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 21 Exact Mass 398.34 Da Monoisotopic Mass 398.34 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 341.000 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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