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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Diethyl phthalate-3,4,5,6-d₄ - ≥98 atom% D,≥98% , CAS No.93952-12-6
Synonyms
Diethyl Phthalate-d4 | DTXSID40584031 | d4-diethyl phthalate | HY-Y0284S | AS-83340 | D98487 | Phthalic acid, bis-ethyl ester D4 100 microg/mL in Acetonitrile | SCHEMBL1331322 | 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester (9CI); Phthalic acid
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged 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.
Descripción general
A phthalate labelled metabolite with genotoxic effect.
Specifications Sinónimos
Diethyl Phthalate-d4 | DTXSID40584031 | d4-diethyl phthalate | HY-Y0284S | AS-83340 | D98487 | Phthalic acid, bis-ethyl ester D4 100 microg/mL in Acetonitrile | SCHEMBL1331322 | 1, 2-Benzene-3, 4, 5, 6-d4-dicarboxylic acid, diethyl ester (9CI); Phthalic acid
Especificaciones y pureza
≥98 atom% D, ≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
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 CCOC(=O)C1=CC=CC=C1C(=O)OCC IUPAC Name diethyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate InChIKey FLKPEMZONWLCSK-KDWZCNHSSA-N INCHI 1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3/i5D,6D,7D,8D Isómeros SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)OCC)C(=O)OCC)[2H])[2H] CAS alternativo 84-66-2（unlabelled） Peso molecular 226.26 Reaxy-Rn 1912500 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912500&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 Not available Direct Parent Benzoic acid esters Alternative Parents Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 benzoic acid esters. These are ester derivatives of benzoic acid. 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 Solubilidad Acetone (Slightly), Chloroform (Sparingly), Methanol (Slightly) Sensibilidad Hygroscopic Punto de ebullición (°C) 298-299 °C (lit.) Punto de fusión (°C) −3 °C (lit.) Peso molecular 226.260 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 6 Exact Mass 226.114 Da Monoisotopic Mass 226.114 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 223.000 Isotope Atom Count 4 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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