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Home/Compounds/CAS 520-45-6
Formula C8H8O4MW 168.15Research-use catalog entryCOA/SDS by request

Dehydroacetic acid

CAS Number: 520-45-6

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Available options

Available Options

Package
1 kg
Purity
98%
Price
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Package
100 g
Purity
98%
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500 g
Purity
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Loading RDKit molecule structure...
InChIKey: PGRHXDWITVMQBC-UHFFFAOYSA-NC8H8O4 | MW 168.15

Chemical Absolute Identifiers

CAS Number

520-45-6

PubChem CID

122903

Molecular Formula

C8H8O4

Molecular Weight

168.15 g/mol

Exact Mass

168.042259

InChIKey

PGRHXDWITVMQBC-UHFFFAOYSA-N

IUPAC Name

3-acetyl-6-methylpyran-2,4-dione

SMILES String

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

Physical Properties

Melting Point

109–111 °C

Density

5.8 g/cm³

Show more physical data

Vapor Pressure

Estimated value, unit not specified

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Dehydroacetic acid (CAS 520-45-6) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C8H8O4 and molecular weight 168. 15 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Geminin (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Geminin

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Stability and reactivity.
  • Carbon monoxide, carbon dioxide.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with a waste disposal license to handle this substance.
Show additional safety reference fields

Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Dehydroacetic acid

Names & Synonyms

3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dioneMethylacetopyronone2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-Biocide 470FAcetic acid, dehydro-
Show all synonyms
3-Acetyl-6-methyl-2,4-pyrandione3-Acetyl-6-methyl-pyran-2,4-dione3-acetyl-6-methyl-3,4-dihydro-2H-pyran-2,4-dione3-Acetyl-6-methylpyrandione-2,42-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, .delta.-lactone3-acetyl-6-methyl-2,4-dioxo-3H-pyranDehydroacetic acid [ISO]GlyTouCan:G82156FZDehydroacetic acid (Standard)4-Hexenoic acid, .delta.-lactone2H-Pyran-2, 3-acetyl-6-methyl-Dehydroacetic acid, >=98.0% (T)3-acetyl-6-methyl-3H-pyran-2,4-dione
External Identifiers
EC NUMBER: 208-293-9DSSTOX SUBSTANCE ID: DTXSID6020014CHEMBL ID: CHEMBL284127CHEBI ID: CHEBI:137426HMDB ID: HMDB0250943WIKIDATA ID: Q63088091Pharmakon1600-01301016
Experimental Spectrum References
1D NMR SpectraATR-IR SpectraFTIR SpectraUV-VIS SpectraVapor Phase IR Spectra
Literature & Patent References
DOI 10.6019/CHEMBL4651402Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activityDOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsDOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collectionDOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1021/jf802805fPreparation of achiral and chiral (E)-enaminopyran-2,4-diones and their phytotoxic activity.PMID 19170511Preparation of achiral and chiral (E)-enaminopyran-2,4-diones and their phytotoxic activity.DOI 10.1021/jm030974cAntimalarial and antitumor evaluation of novel C-10 non-acetal dimers of 10beta-(2-hydroxyethyl)deoxoartemisinin.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 10083-24-6PiceatannolCAS 112574-44-4NitrofurazoneCAS 1148-79-42,2':6',2''-TerpyridineCAS 100643-71-8DesloratadineCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 520-45-6

What are the key identifiers for Dehydroacetic acid (CAS 520-45-6)?

Dehydroacetic acid is identified by CAS 520-45-6, with molecular formula C8H8O4, molecular weight 168.15, InChIKey PGRHXDWITVMQBC-UHFFFAOYSA-N.

Does CAS 520-45-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Geminin, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 520-45-6?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Dehydroacetic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 520-45-6 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

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