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Ethyl 3-oxo-4-phenylbutanoate - 97%, high purity , CAS No.718-08-1

COA

Grade & Purity:

≥97%

Cas Number: 718-08-1
Molecular Weight: 206.24
PubChem CID: 225855
PubChem SID: 488188762

In stock

Item Number

E194746

Grouped product items
SKU	Size	Availability	Price
E194746-250mg	250mg	3	$23.90
E194746-1g	1g	3	$29.90
E194746-5g	5g	5	$127.90
E194746-25g	25g	1	$512.90

Discover Ethyl 3-oxo-4-phenylbutanoate by Aladdin Scientific in 97% for only $23.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ethyl 3-oxo-4-phenylbutanoate \| 718-08-1 \| 3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER \| Ethyl 3-oxo-4-phenylbutyrate \| ETHYL 4-PHENYLACETOACETATE \| MFCD03844818 \| Ethyl3-oxo-4-phenylbutanoate \| ethyl 3-oxo-4-phenyl-butanoate \| NSC15691 \| ethyl 4-phenyl-3-oxobutyrate \| SCHEMBL31
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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 Benzene and substituted derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic 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

Pubchem Sid	488188762
IUPAC Name	ethyl 3-oxo-4-phenylbutanoate
INCHI	InChI=1S/C12H14O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey	BOZNWXQZCYZCSH-UHFFFAOYSA-N
Smiles	CCOC(=O)CC(=O)CC1=CC=CC=C1
Isomeric SMILES	CCOC(=O)CC(=O)CC1=CC=CC=C1
Molecular Weight	206.24
Reaxy-Rn	1075069
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1075069&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.

8 results found

Lot Number	Certificate Type	Date	Item
F2315280	Certificate of Analysis	May 30, 2023	E194746
F2315288	Certificate of Analysis	May 30, 2023	E194746
F2315287	Certificate of Analysis	May 30, 2023	E194746
B2315285	Certificate of Analysis	May 30, 2023	E194746
F2315283	Certificate of Analysis	May 30, 2023	E194746
F2310001	Certificate of Analysis	May 30, 2023	E194746
F2315278	Certificate of Analysis	May 30, 2023	E194746
F2315274	Certificate of Analysis	May 30, 2023	E194746

Chemical and Physical Properties

Molecular Weight	206.240 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	206.094 Da
Monoisotopic Mass	206.094 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	217.000
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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