Dimethyl 3-methylglutaconate - ≥95% , CAS No.52313-87-8

CAS: 52313-87-8 Cat. No.: D334907 Fórmula: C8H12O4 Peso molecular: 172.18 Número CE: 257-839-2
Disponível para encomenda
GRADE & PURITY ≥95%
Synonyms
Dimethyl 3-methylglutaconate | 3-Methylglutakonic acid dimethyl ester | 3-Methyl-pent-2-enedioic acid dimethyl ester, E | EN300-24500709 | BS-48956 | Dimethyl (2E)-3-methyl-2-pentenedioate # | AMY40700 | 3-Methyl-2-pentenedioic acid 1,5-dimethyl ester | A
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
Alemanha (EU)
USA*
Price
Qty
1g
D334907-1g
Sob encomenda · 8–12 semanas
39,83€
5g
D334907-5g
—
3 Em stock

153,50€

230,73€
Gravar 77,23 € (33.47%)
25g
D334907-25g
—
3 Em stock

535,31€

803,44€
Gravar 268,13 € (33.37%)
100g
D334907-100g
—
2 Em stock

1713,70€

2571,02€
Gravar 857,33 € (33.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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.

Visão geral

Dimethyl 3-Methylglutaconate is shown to induce oxidative damage on striatum and the liver in rats. Also used in the preparation of insect growth regulators with juvenile hormone activity.

Specifications

Sinónimos
Dimethyl 3-methylglutaconate | 3-Methylglutakonic acid dimethyl ester | 3-Methyl-pent-2-enedioic acid dimethyl ester, E | EN300-24500709 | BS-48956 | Dimethyl (2E)-3-methyl-2-pentenedioate # | AMY40700 | 3-Methyl-2-pentenedioic acid 1,5-dimethyl ester | A
Especificações e pureza
≥95%
Condições de armazenamento de armazenamento
Store at 2-8°C
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥95%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763778
Sorrisos canónicos
CC(=CC(=O)OC)CC(=O)OC
IUPAC Name
dimethyl (E)-3-methylpent-2-enedioate
InChIKey
GBQBEQOEGMZCOH-GQCTYLIASA-N
INCHI
1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+
SMILES isoméricas
C/C(=C\C(=O)OC)/CC(=O)OC
Peso molecular
172.18
Reaxy-Rn
1772926
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772926&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
ClasseFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid methyl esters
Alternative Parents Dicarboxylic acids and derivatives  Methyl esters  Enoate esters  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid methyl ester - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - 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 fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
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:

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

4 results found

Lot NumberCertificate TypeDataItem
C2514403Certificate of AnalysisAug 09, 2022 D334907
L2217009Certificate of AnalysisAug 09, 2022 D334907
L2217010Certificate of AnalysisAug 09, 2022 D334907
L2217011Certificate of AnalysisAug 09, 2022 D334907
Propriedades químicas e físicas
Ponto de ebulição (°C)109-110° C at 12 mmHg
Peso molecular172.180 g/mol
XLogP31.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass172.074 Da
Monoisotopic Mass172.074 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity205.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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