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Home/Compounds/CAS 541-47-9
Formula C5H8O2MW 100.12Research-use catalog entryCOA/SDS by request

3-Methyl-2-butenoic acid

CAS Number: 541-47-9

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Purity
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Loading RDKit molecule structure...
InChIKey: YYPNJNDODFVZLE-UHFFFAOYSA-NC5H8O2 | MW 100.12

Chemical Absolute Identifiers

CAS Number

541-47-9

PubChem CID

10931

Molecular Formula

C5H8O2

Molecular Weight

100.12 g/mol

Exact Mass

100.052429

InChIKey

YYPNJNDODFVZLE-UHFFFAOYSA-N

IUPAC Name

3-methylbut-2-enoic acid

SMILES String

CC(=CC(=O)O)C

Physical Properties

Melting Point

65.0 °C

Boiling Point

195–197 °C

Water Solubility

1 mol/L

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

Catalog Facts

Structural features

3-Methyl-2-butenoic acid (CAS 541-47-9) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C5H8O2 and molecular weight 100. 12 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

Safety & Handling

Safety and handling reference content is available through documentation requests.

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

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

3-Methyl-2-butenoic acid

Names & Synonyms

3,3-Dimethylacrylic acidSenecioic acid3-Methylcrotonic acid2-Butenoic acid, 3-methyl-beta,beta-Dimethylacrylic acid
Show all synonyms
beta,beta-Dimethacrylic acidbeta-Methylcrotonic acidFEMA No. 3187Crotonic acid, 3-methyl-3-methyl crotonic acidbeta,beta-dimethyl acrylic acid3-methyl-but-2-enoic acidKyselina 3-methyl-2-butenova.beta.-Methylcrotonic acid.beta.,.beta.-Dimethacrylic acid.beta.,.beta.-Dimethylacrylic acid3-methylbut-2-enoate3,3-Dimethyl acrylic acidKyselina 3-methyl-2-butenova [Czech]
External Identifiers
EC NUMBER: 208-782-7DSSTOX SUBSTANCE ID: DTXSID2047145CHEMBL ID: CHEMBL115725CHEBI ID: CHEBI:37127UNII: EKV8I38F9IHMDB ID: HMDB0000509METABOLOMICS WORKBENCH ID: 167WIKIDATA ID: Q27117043
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra1H NMR SpectraATR-IR SpectraFTIR SpectraRaman SpectraUV-VIS SpectraVapor Phase IR Spectra
Literature & Patent References
DOI 10.1021/acs.jmedchem.7b01788Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design.PMID 29400967Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design.DOI 10.1016/j.bmcl.2010.11.091Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).PMID 21167710Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).DOI 10.1021/jm00017a024Structure-activity relationships of unsaturated analogues of valproic acid.PMID 7650693Structure-activity relationships of unsaturated analogues of valproic acid.

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

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Non-public related references

p-METHYLACETOPHENONECAS 122-00-9

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 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 541-47-9

What are the key identifiers for 3-Methyl-2-butenoic acid (CAS 541-47-9)?

3-Methyl-2-butenoic acid is identified by CAS 541-47-9, with molecular formula C5H8O2, molecular weight 100.12, InChIKey YYPNJNDODFVZLE-UHFFFAOYSA-N.

Can I request a COA for CAS 541-47-9?

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

Can I request supplier SDS for 3-Methyl-2-butenoic acid?

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

Is CAS 541-47-9 available for quotation?

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

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