Diethyl malonate-2-¹³C - ≥99 atom% 13C , CAS No.67035-94-3

CAS: 67035-94-3 Cat. No.: D473946 Fórmula: 13CH2(CO2C2H5)2 Peso molecular: 161.16 Número CE: 106-334-4
Disponível para encomenda
GRADE & PURITY ≥96%(SDS-PAGE)
Synonyms
Diethyl malonate-2-13C, 99 atom % 13C | starbld0016583 | AKOS015913060 | Diethyl malonate-2-13C | diethyl (213C)propanedioate | DTXSID20480027 | SCHEMBL1330550 | Propanedioic-2-13cacid,1,3-diethyl ester
Storage
Room temperature
★
Size
USA
Alemanha (EU)*
Price
Qty
1g
D473946-1g
Sob encomenda · 8–12 semanas

1229,90US$

1435,90US$
Gravar 206,00 US$ (14.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥99 atom% 13C 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.

📋

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.

Specifications

Sinónimos
Diethyl malonate-2-13C, 99 atom % 13C | starbld0016583 | AKOS015913060 | Diethyl malonate-2-13C | diethyl (213C)propanedioate | DTXSID20480027 | SCHEMBL1330550 | Propanedioic-2-13cacid,1,3-diethyl ester
Especificações e pureza
≥99 atom% 13C
Condições de armazenamento de armazenamento
Room temperature
Pureza
≥96%(SDS-PAGE)
Nomes e identificadores
Sorrisos canónicosCCOC(=O)CC(=O)OCC
IUPAC Namediethyl (213C)propanedioate
InChIKeyIYXGSMUGOJNHAZ-HOSYLAQJSA-N
INCHI1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5+1
SMILES isoméricas CCOC(=O)[13CH2]C(=O)OCC
Peso molecular 161.16
Reaxy-Rn 774687
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774687&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
SuperclassOrganic acids and derivatives
ClasseCarboxylic acids and derivatives
SubclassDicarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentDicarboxylic acids and derivatives
Alternative Parents 1,3-dicarbonyl compounds  Carboxylic acid esters  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Ponto de inflamação (°F)194.0 °F - closed cup
Ponto de inflamação (°C)90.00 °C - closed cup
Ponto de ebulição (°C)199℃ (lit.)
Ponto de fusão (°C)-51--50℃ (lit.)
Peso molecular161.160 g/mol
XLogP31.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass161.077 Da
Monoisotopic Mass161.077 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count11
Formal Charge0
Complexity125.000
Isotope Atom Count1
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 soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

What is the isotopic enrichment of this product?
This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 67035-94-3, the molecular formula is C7H12O4, and the molecular weight is 161.16 g/mol. InChIKey IYXGSMUGOJNHAZ-HOSYLAQJSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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