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Methyl 2-ethylacetoacetate - 97%, high purity , CAS No.51756-08-2

COA

Grade & Purity:

≥97%

Cas Number: 51756-08-2
Molecular Weight: 144.17
PubChem CID: 103534

In stock

Item Number

M341194

Grouped product items
SKU	Size	Availability	Price
M341194-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$48.90
M341194-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
M341194-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$658.90

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Esters (37)

Basic Description

Synonyms	EN300-21229 \| Methyl2-ethyl-3-oxobutanoate \| DTXSID00871398 \| A828758 \| AKOS000121358 \| methyl-2-ethylacetoacetate \| FT-0695098 \| methyl 2-acetylbutyrate \| Methyl 2-ethylacetoacetate \| MFCD01632136 \| Methyl 2-ethyl-3-oxobutanoate # \| SCHEMBL222338 \| BCA75
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Methyl 2-ethylacetoacetate participates in the preparation of 5,6-disubstituted-1,3-dioxine-4-one.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Keto acids and derivatives
    - Subclass Beta-keto acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Beta-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta-keto acids and derivatives
Alternative Parents	Fatty acid esters 1,3-dicarbonyl compounds Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
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

Names and Identifiers

IUPAC Name	methyl 2-ethyl-3-oxobutanoate
INCHI	InChI=1S/C7H12O3/c1-4-6(5(2)8)7(9)10-3/h6H,4H2,1-3H3
InChIKey	YXLVLOWNJCOOAU-UHFFFAOYSA-N
Smiles	CCC(C(=O)C)C(=O)OC
Isomeric SMILES	CCC(C(=O)C)C(=O)OC
Molecular Weight	144.17
Reaxy-Rn	1754068
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754068&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G2419328	Certificate of Analysis	Apr 07, 2024	M341194
G2419329	Certificate of Analysis	Apr 07, 2024	M341194
G2419330	Certificate of Analysis	Apr 07, 2024	M341194
G2419331	Certificate of Analysis	Apr 07, 2024	M341194
G2419344	Certificate of Analysis	Apr 07, 2024	M341194
G2419345	Certificate of Analysis	Apr 07, 2024	M341194

Chemical and Physical Properties

Refractive Index	1.423
Molecular Weight	144.170 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	144.079 Da
Monoisotopic Mass	144.079 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140.000
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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