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Ethyl 4-methoxy-3-oxobutanoate - 95%, high purity , CAS No.66762-68-3

COA

Grade & Purity:

≥95%

Cas Number: 66762-68-3
Molecular Weight: 160.17
PubChem CID: 12645099

In stock

Item Number

E589834

Grouped product items
SKU	Size	Availability	Price
E589834-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$40.90
E589834-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$163.90
E589834-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$549.90

Basic Description

Synonyms	Butanoic acid, 4-methoxy-3-oxo-, ethyl ester \| CMKOJBYFNYDATH-UHFFFAOYSA-N \| ethyl 4-methoxy-3-oxobutanoate \| ETHYL 4-METHOXY-3-OXO-BUTANOATE \| AS-40133 \| FT-0651422 \| gamma-methoxyacetoacetic acid ethyl ester \| Ethyl 4-Methyloxy-3-oxo-butanoate \| SCHEMBL
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,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 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 Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-keto acid - Fatty acid ester - 1,3-dicarbonyl compound - Fatty acyl - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Aldehyde - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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	ethyl 4-methoxy-3-oxobutanoate
INCHI	InChI=1S/C7H12O4/c1-3-11-7(9)4-6(8)5-10-2/h3-5H2,1-2H3
InChIKey	CMKOJBYFNYDATH-UHFFFAOYSA-N
Smiles	CCOC(=O)CC(=O)COC
Isomeric SMILES	CCOC(=O)CC(=O)COC
Molecular Weight	160.17
Reaxy-Rn	1766784
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766784&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.170 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	160.074 Da
Monoisotopic Mass	160.074 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141.000
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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