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ethyl 4-cyclopropyl-2,4-dioxobutanoate - 97%, high purity , CAS No.21080-80-8

COA

Grade & Purity:

≥97%

Cas Number: 21080-80-8
Molecular Weight: 184.19
PubChem CID: 16779961
PubChem SID: 504768543

In stock

Item Number

E358328

Grouped product items
SKU	Size	Availability	Price
E358328-250mg	250mg	3	$41.90
E358328-1g	1g	3	$131.90
E358328-5g	5g	5	$353.90
E358328-25g	25g	3	$1,441.90

Basic Description

Synonyms	ethyl 4-cyclopropyl-2,4-dioxobutanoate \| MFCD09052462 \| 4-CYCLOPROPYL-2,4-DIOXO-BUTYRIC ACID ETHYL ESTER \| BS-13825 \| MHKXVJFDESXWFH-UHFFFAOYSA-N \| cyclopropanebutanoic acid, alpha,gamma-dioxo-, ethyl ester \| EN300-41906 \| SY117217 \| s11877 \| SCHEMBL16943
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Gamma-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	3-Acylpyruvic acids
Alternative Parents	Fatty acid esters Beta-diketones Alpha-keto acids and derivatives Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	3-acylpyruvic acid - 1,3-diketone - Fatty acid ester - Alpha-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group.
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

Pubchem Sid	504768543
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768543
IUPAC Name	ethyl 4-cyclopropyl-2,4-dioxobutanoate
INCHI	InChI=1S/C9H12O4/c1-2-13-9(12)8(11)5-7(10)6-3-4-6/h6H,2-5H2,1H3
InChIKey	MHKXVJFDESXWFH-UHFFFAOYSA-N
Smiles	CCOC(=O)C(=O)CC(=O)C1CC1
Isomeric SMILES	CCOC(=O)C(=O)CC(=O)C1CC1
Molecular Weight	184.19
Reaxy-Rn	3130460
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3130460&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
H2223135	Certificate of Analysis	Jun 10, 2025	E358328
H2223134	Certificate of Analysis	Jun 10, 2025	E358328
H2223193	Certificate of Analysis	Jun 10, 2025	E358328
H2223136	Certificate of Analysis	Jun 10, 2025	E358328

Chemical and Physical Properties

Molecular Weight	184.190 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	184.074 Da
Monoisotopic Mass	184.074 Da
Topological Polar Surface Area	60.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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