Diethyl Phenylmalonate - ≥97%(GC) , CAS No.83-13-6

CAS: 83-13-6 Cat. No.: D155872 Peso molecular: 236.27 Beilstein Registry Number: 614465 Número EC: 201-456-5
Disponible para pedir
GRADE & PURITY ≥97%(GC)
Synonyms
Ethyl phenylmalonate | AC-19988 | Diethyl 2-phenylmalonate | FT-0624800 | 2-Phenyl-malonic acid diethyl ester | CBMicro_047868 | InChI=1/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H | 2-phenyl-propanedioic acid diethyl ester
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25ml
D155872-25ml
4
9,90US$
100ml
D155872-100ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
29,90US$
500ml
D155872-500ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
109,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥97%(GC) 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.

Descripción general

Diethyl phenylmalonate was partially hydrolysed to the corresponding chiral monoester by various immobilized preparations of lipase from Thermomyces lanuginosa.

Specifications

Sinónimos
Ethyl phenylmalonate | AC-19988 | Diethyl 2-phenylmalonate | FT-0624800 | 2-Phenyl-malonic acid diethyl ester | CBMicro_047868 | InChI=1/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9, 11H, 3-4H2, 1-2H | 2-phenyl-propanedioic acid diethyl ester
Especificaciones y pureza
≥97%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥97%(GC)
Nombres e identificadores
Pubchem Sid504754075
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754075
Sonrisas canónicasCCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
IUPAC Namediethyl 2-phenylpropanedioate
InChIKeyFGYDHYCFHBSNPE-UHFFFAOYSA-N
INCHI1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
Isómeros SMILES CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
WGK Alemania 3
Peso molecular 236.27
Beilstein 614465
Reaxy-Rn 614465
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=614465&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

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Dicarboxylic acids and derivatives  1,3-dicarbonyl compounds  Carboxylic acid esters  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeFechaArticulo
E2619405Certificate of AnalysisMay 12, 2026 D155872
E2619410Certificate of AnalysisMay 12, 2026 D155872
E2619481Certificate of AnalysisMay 12, 2026 D155872
E2220041Certificate of AnalysisMar 11, 2026 D155872
E2220062Certificate of AnalysisMar 11, 2026 D155872
E2220063Certificate of AnalysisMar 11, 2026 D155872
D2622324Certificate of AnalysisJul 23, 2024 D155872
D2622325Certificate of AnalysisJul 23, 2024 D155872
J1918080Certificate of AnalysisAug 01, 2023 D155872
G2303552Certificate of AnalysisJul 13, 2023 D155872
Propiedades químicas y físicas
Índice de refracción1.491
Punto de inflamación (°F)248°F
Punto de inflamación (°C)120℃
Punto de ebullición (°C)170-172 °C/14 mmHg
Punto de fusión (°C)16°C
Peso molecular236.260 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass236.105 Da
Monoisotopic Mass236.105 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count17
Formal Charge0
Complexity238.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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