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Ethyl 4-Acetyl-5-oxohexanoate - >96.0%(GC), high purity , CAS No.2832-10-2

COA

Grade & Purity:

≥96%(GC)

Cas Number: 2832-10-2
Molecular Weight: 200.23
Beilstein Registry Number: 3757
PubChem CID: 2733934

In stock

Item Number

E156525

Grouped product items
SKU	Size	Availability	Price
E156525-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
E156525-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
E156525-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90

Discover Ethyl 4-Acetyl-5-oxohexanoate by Aladdin Scientific in >96.0%(GC) for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	MFCD00009211 \| STK400154 \| Hexanoic acid,4-acetyl-5-oxo-, ethyl ester \| CAA83210 \| DTXSID30370046 \| 4,4-Diacetylbutyric Acid Ethyl Ester \| AKOS004115443 \| FT-0626068 \| bromhexinehydrochloride \| J-017042 \| SCHEMBL1406208 \| 4-Acetyl-5-oxohexanoic Acid Ethyl
Specifications & Purity	≥96%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Beta-diketones Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	1,3-diketone - Fatty acid ester - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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-acetyl-5-oxohexanoate
INCHI	InChI=1S/C10H16O4/c1-4-14-10(13)6-5-9(7(2)11)8(3)12/h9H,4-6H2,1-3H3
InChIKey	YRSGDLIATOURQO-UHFFFAOYSA-N
Smiles	CCOC(=O)CCC(C(=O)C)C(=O)C
Isomeric SMILES	CCOC(=O)CCC(C(=O)C)C(=O)C
Molecular Weight	200.23
Beilstein	3757
Reaxy-Rn	1785189
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785189&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	182°C/48mmHg(lit.)
Molecular Weight	200.230 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	200.105 Da
Monoisotopic Mass	200.105 Da
Topological Polar Surface Area	60.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218.000
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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