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Ethyl 2,4-dioxovalerate - 98%, high purity , CAS No.615-79-2

COA

Grade & Purity:

≥98%

Cas Number: 615-79-2
Molecular Weight: 158.15
Beilstein Registry Number: 607062
EC Number: 210-447-5
MDL number: MFCD00009124
PubChem CID: 69208
PubChem SID: 504754351

In stock

Item Number

E136676

Grouped product items
SKU	Size	Availability	Price
E136676-1g	1g	5	$11.90
E136676-5g	5g	5	$43.90
E136676-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
E136676-25g	25g	4	$130.90
E136676-100g	100g	2	$468.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	AI3-01354 \| BBL027738 \| DTXSID10210476 \| Ethyl acetopyruvate \| NCIOpen2_001802 \| Ethyl (acetylmethyl)glyoxylate \| 2,4-dioxopentanoic acid ethyl ester \| 2,4-dioxo-pentanoic acid ethyl ester \| ETHYL-2,4-DIOXOVALERATE \| Ethyl2,4-dioxovalerate \| AKOS004115473
Specifications & Purity	≥98%
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.
Product Description	Assymmmetric hydrogenation of ethyl 2,4-dioxovalerate in the presence of chiral rhodium or ruthenium catalysts yields 2-hydroxy-4-methyltetrahydrofuran-2-one. Ethyl 2,4-dioxovalerate is a potential anti-fungal agent.

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	504754351
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754351
IUPAC Name	ethyl 2,4-dioxopentanoate
INCHI	InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
InChIKey	OYQVQWIASIXXRT-UHFFFAOYSA-N
Smiles	CCOC(=O)C(=O)CC(=O)C
Isomeric SMILES	CCOC(=O)C(=O)CC(=O)C
WGK Germany	3
Molecular Weight	158.15
Beilstein	607062
Reaxy-Rn	607062
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607062&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
K2117121	Certificate of Analysis	Sep 14, 2023	E136676
K2117104	Certificate of Analysis	Sep 14, 2023	E136676
K2117067	Certificate of Analysis	Sep 14, 2023	E136676
K2117117	Certificate of Analysis	Sep 14, 2023	E136676
E1703015	Certificate of Analysis	Dec 07, 2022	E136676

Chemical and Physical Properties

Solubility	Miscible with water, ether,chloroform, methanol and ethanol.
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	101-103 °C/12 mmHg
Melt Point(°C)	16-18 °C
Molecular Weight	158.150 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	158.058 Da
Monoisotopic Mass	158.058 Da
Topological Polar Surface Area	60.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183.000
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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