Dehydroacetic acid (Standard)

CAT: 0804-HY-B1211R-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B1211R-01Size:25 mg

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Description

Dehydroacetic acid (Standard) (Biocide 470F (Standard) ) is the analytical standard of Dehydroacetic acid. This product is intended for research and analytical applications. Dehydroacetic acid (Biocide 470F) is a pyrone derivative. Dehydroacetic acid has antibacterial, antifungal and phytotoxic activities. Dehydroacetic acid can be added to cosmetics, food and beverages for preservation and other purposes. Dehydroacetic acid can also be used to synthesize various heterocycles and cycloaddition products[1].

CAS Number

520-45-6

Product Name Alternative

Biocide 470F (Standard)

UNSPSC

12352005

Target

Bacterial; Fungal; Reference Standards

Type

Reference Standards

Related Pathways

Anti-infection; Others

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/dehydroacetic-acid-standard.html

Smiles

O=C1C(C(C)=O)C(C=C(C)O1)=O

Molecular Formula

C8H8O4

Molecular Weight

168.15

References & Citations

[1]Baldwin AG, et al. Synthesis and antibacterial activities of enamine derivatives of dehydroacetic acid. Med Chem Res. 2018;27 (3) :884-889.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Dehydroacetic acid

Dehydroacetic acid is a pyran-2,4-dione substituted at position 3 by an acetyl group and at position 6 by a methyl group. A fungicide and bactericide it is used primarily in processed fruit and vegetables. It has a role as a fungicide, an antibacterial agent and a plasticiser. It is a pyran-2,4-dione and a ketone.

CAS Number	520-45-6
PubChem CID	122903
IUPAC Name	3-acetyl-6-methylpyran-2,4-dione
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	0.3
Topological Polar Surface Area	60.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	287

SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)C

InChI

InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3

InChIKey

PGRHXDWITVMQBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 520-45-6

CID: 122903

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	168.04225873
Monoisotopic Mass	168.04225873
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	287
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C6741-500	Dehydroacetic acid
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Dehydroacetic acid (Standard)

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