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Ethyl 2-(4-methoxyphenoxy)acetoacetate , CAS No.7699-85-6

Ethyl 2-(4-methoxyphenoxy)acetoacetate , CAS No.7699-85-6

Name: Ethyl 2-(4-methoxyphenoxy)acetoacetate , CAS No.7699-85-6
SKU: E1259413
Availability: InStock

CAS: 7699-85-6 Cat. No.: E1259413 Fórmula: C₁₃H₁₆O₅ Peso molecular: 252.27 PubChem CID: 56832334

COA

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Storage

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Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

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Why this grade

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.

📋

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

Condições de armazenamento de armazenamento

Room temperature

Enviado em

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Nomes e identificadores

Sorrisos canónicos

CCOC(=O)C(C(=O)C)OC1=CC=C(C=C1)OC

IUPAC Name

ethyl 2-(4-methoxyphenoxy)-3-oxobutanoate

InChIKey

PIJKLMFBBJCAOC-UHFFFAOYSA-N

INCHI

1S/C13H16O5/c1-4-17-13(15)12(9(2)14)18-11-7-5-10(16-3)6-8-11/h5-8,12H,4H2,1-3H3

SMILES isoméricas

CCOC(=O)C(C(=O)C)OC1=CC=C(C=C1)OC

PubChem CID

56832334

Peso molecular

252.27

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Phenoxyacetic acid derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxyacetic acid derivatives
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Beta-keto acids and derivatives Alkyl aryl ethers Monosaccharides 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxyacetate - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Monosaccharide - Keto acid - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	252.260 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	252.1 Da
Monoisotopic Mass	252.1 Da
Topological Polar Surface Area	61.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	281.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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Revisões

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