Bencilmalonato de dietilo - ≥98% , CAS No.607-81-8

CAS: 607-81-8 Cat. No.: D122568 Peso molecular: 250.29 Beilstein Registry Number: 615793 Número EC: 210-142-7
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
2-benzylmalonic acid diethyl ester | 1,1-BIS(ETHOXYCARBONYL)-2-PHENYLETHANE | diethyl (phenylmethyl)propanedioate | NSC 8720 | Diethyl 2-benzylmalonate # | NSC41169 | NSC-41169 | NSC631631 | NSC-631631 | benzyl-propanedioic acid diethyl ester | DTXSID4022
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25g
D122568-25g
4

13,90US$

20,90US$
Guardar 7,00 US$ (33.49%)
100g
D122568-100g
2

43,90US$

65,90US$
Guardar 22,00 US$ (33.38%)
500g
D122568-500g
1

110,90US$

166,90US$
Guardar 56,00 US$ (33.55%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

El bencilmalonato de dietilo en condensación con 2-amino-benzimidazol produce 3-bencil-4-hidroxipirimid?o[1,2-a]bencimidazol-2-ona

Specifications

Sinónimos
2-benzylmalonic acid diethyl ester | 1, 1-BIS(ETHOXYCARBONYL)-2-PHENYLETHANE | diethyl (phenylmethyl)propanedioate | NSC 8720 | Diethyl 2-benzylmalonate # | NSC41169 | NSC-41169 | NSC631631 | NSC-631631 | benzyl-propanedioic acid diethyl ester | DTXSID4022
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid504754333
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754333
Sonrisas canónicasCCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
IUPAC Namediethyl 2-benzylpropanedioate
InChIKeyICZLTZWATFXDLP-UHFFFAOYSA-N
INCHI1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
Isómeros SMILES CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
WGK Alemania 3
Peso molecular 250.29
Beilstein 615793
Reaxy-Rn 615793
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=615793&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
SuperclassLipids and lipid-like molecules
ClaseFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Dicarboxylic acids and derivatives  Benzene and substituted derivatives  1,3-dicarbonyl compounds  Carboxylic acid esters  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Fatty acid ester - Benzenoid - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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.

4 results found

Lot NumberCertificate TypeFechaArticulo
F2202305Certificate of AnalysisMar 13, 2026 D122568
F2202311Certificate of AnalysisMar 13, 2026 D122568
F2204037Certificate of AnalysisMar 13, 2026 D122568
F2317945Certificate of AnalysisJul 03, 2023 D122568
Propiedades químicas y físicas
Índice de refracción1.486
Punto de inflamación (°F)235.4 °F
Punto de inflamación (°C)>110°C(230°F)
Punto de ebullición (°C)162-163°C/10mmHg
Peso molecular250.290 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass250.121 Da
Monoisotopic Mass250.121 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count18
Formal Charge0
Complexity251.000
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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