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(E)-Ethyl 4-ethoxy-3-methyl-2-oxobut-3-enoate - ≥95% , CAS No.1071847-27-2

(E)-Ethyl 4-ethoxy-3-methyl-2-oxobut-3-enoate - ≥95% , CAS No.1071847-27-2

Name: (E)-Ethyl 4-ethoxy-3-methyl-2-oxobut-3-enoate - ≥95% , CAS No.1071847-27-2
Brand: Aladdin Scientific
SKU: E1021869
Availability: InStock

CAS: 1071847-27-2 Cat. No.: E1021869 PubChem CID: 57345892

COA

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(E)-Ethyl 4-ethoxy-3-methyl-2-oxobut-3-enoate - ≥95% CAS No(1071847-27-2) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

🧪

Why this grade

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

🌡

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas	CCOC=C(C)C(=O)C(=O)OCC
IUPAC Name	ethyl (E)-4-ethoxy-3-methyl-2-oxobut-3-enoate
InChIKey	IRKJMAORHOOJGK-VOTSOKGWSA-N
INCHI	1S/C9H14O4/c1-4-12-6-7(3)8(10)9(11)13-5-2/h6H,4-5H2,1-3H3/b7-6+
Isómeros SMILES	CCO/C=C(\C)/C(=O)C(=O)OCC
PubChem CID	57345892

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Clase Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Clase	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Alpha-keto acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Vinylogous esters Enones Acryloyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Alpha-keto acid - Alpha-branched alpha,beta-unsaturated-ketone - Keto acid - Acryloyl-group - Enone - Vinylogous ester - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aliphatic acyclic compound
Descripción	This 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
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	186.200 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	186.089 Da
Monoisotopic Mass	186.089 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	218.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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