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Ethyl 2,4-dioxoheptanoate - 96%, high purity , CAS No.36983-31-0

COA

Grade & Purity:

≥96%

Cas Number: 36983-31-0
Molecular Weight: 186.21
MDL number: MFCD08700411
PubChem CID: 3006750
PubChem SID: 504762285

In stock

Item Number

E123031

Grouped product items
SKU	Size	Availability	Price
E123031-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$23.90
E123031-5g	5g	2	$104.90
E123031-25g	25g	1	$471.90

Basic Description

Synonyms	ethyl 2,4-dioxoheptanoate \| 36983-31-0 \| 2,4-Dioxoheptanoic acid ethyl ester \| ETHYL2,4-DIOXOHEPTANOATE \| ethyl 3-butyrylpyruvate \| 2,4-DIOXO-HEPTANOIC ACID ETHYL ESTER \| SCHEMBL1179018 \| DTXSID70388307 \| DMAUJRWSYKLVHX-UHFFFAOYSA-N \| MFCD08700411 \| AKOS000136212 \| CS-W016908 \|
Specifications & Purity	≥96%
Shipped In	Normal

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 acyclic 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 acyclic 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	504762285
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762285
IUPAC Name	ethyl 2,4-dioxoheptanoate
INCHI	InChI=1S/C9H14O4/c1-3-5-7(10)6-8(11)9(12)13-4-2/h3-6H2,1-2H3
InChIKey	DMAUJRWSYKLVHX-UHFFFAOYSA-N
Smiles	CCCC(=O)CC(=O)C(=O)OCC
Isomeric SMILES	CCCC(=O)CC(=O)C(=O)OCC
Molecular Weight	186.21
Reaxy-Rn	608031
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608031&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
L2418139	Certificate of Analysis	Dec 26, 2024	E123031
L2418138	Certificate of Analysis	Dec 21, 2024	E123031
L2418140	Certificate of Analysis	Dec 20, 2024	E123031
L2315079	Certificate of Analysis	Dec 20, 2023	E123031
L1806062	Certificate of Analysis	Sep 22, 2022	E123031
K1822090	Certificate of Analysis	Sep 14, 2022	E123031
I1412084	Certificate of Analysis	Jul 12, 2022	E123031
G1806046	Certificate of Analysis	May 12, 2022	E123031

Chemical and Physical Properties

Boil Point(°C)	228-232°C
Molecular Weight	186.200 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	186.089 Da
Monoisotopic Mass	186.089 Da
Topological Polar Surface Area	60.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	208.000
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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