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3-Ethyl-2,4-pentanedione, mixture of tautomers - 98%, high purity , CAS No.1540-34-7

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3-Ethyl-2,4-pentanedione, mixture of tautomers - 98%, high purity , CAS No.1540-34-7

COA

Grade & Purity:

≥98%

Cas Number: 1540-34-7
Molecular Weight: 128.17
Beilstein Registry Number: 1(4)3703
MDL number: MFCD00008764
PubChem CID: 73761

In stock

Item Number

E472907

Grouped product items
SKU	Size	Availability	Price	Qty
E472907-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$223.90
E472907-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$511.90

Basic Description

Synonyms	DTXSID30165510 \| 7GK69H2R84 \| Z119984130 \| Q63393699 \| 3-ethyl-2,4-pentandione \| A809494 \| D90505 \| 2,4-PENTANEDIONE, 3-ETHYL- \| 3-Ethyl-4-hydroxy-3-penten-3-one \| 2, 3-ethyl- \| 3-Ethylacetylacetone \| NSC 73741 \| NSC73741 \| NSC-73741 \| FT-0615646 \| 3-Ethy
Specifications & Purity	≥98%
Product Description	Description 3-Ethyl-2,4-pentanedione has been used in the preparation of:N,N,N,N-tetradentate macrocyclic ligandvanadyl 3-ethylacetylacetonate, its effects in non-ketotic, streptozotocin-diabetic rats has been studied

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 1,3-dicarbonyl compounds
        Level6 Beta-diketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	1,3-dicarbonyl compounds
Direct Parent	Beta-diketones
Alternative Parents	Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	1,3-diketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single 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

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-ethylpentane-2,4-dione
INCHI	InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3
InChIKey	GUARKOVVHJSMRW-UHFFFAOYSA-N
Smiles	CCC(C(=O)C)C(=O)C
Isomeric SMILES	CCC(C(=O)C)C(=O)C
Molecular Weight	128.17
Beilstein	1(4)3703
Reaxy-Rn	506848
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506848&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.44
Flash Point(°F)	67°C(lit.)
Flash Point(°C)	67°C(lit.)
Boil Point(°C)	81°C/20.3mmHg
Molecular Weight	128.169 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	128.084 Da
Monoisotopic Mass	128.084 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	113.000
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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