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Home/Compounds/CAS 427-49-6
Formula C13H16O3MW 220.26Research-use catalog entryCOA/SDS by request

alpha-Cyclopentylmandelic acid

CAS Number: 427-49-6

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Loading RDKit molecule structure...
InChIKey: WFLUEQCOAQCQLP-UHFFFAOYSA-NC13H16O3 | MW 220.26

Chemical Absolute Identifiers

CAS Number

427-49-6

PubChem CID

98283

Molecular Formula

C13H16O3

Molecular Weight

220.26 g/mol

Exact Mass

220.109944

InChIKey

WFLUEQCOAQCQLP-UHFFFAOYSA-N

IUPAC Name

2-cyclopentyl-2-hydroxy-2-phenylacetic acid

SMILES String

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O

Physical Properties

No physical property values available.

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

Catalog Facts

Structural features

alpha-Cyclopentylmandelic acid (CAS 427-49-6) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C13H16O3 and molecular weight 220. 26 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: Kelch-like ECH-associated protein 1 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Kelch-like ECH-associated protein 1

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide.

Disposal

  • Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with a waste disposal license to handle this substance.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus during 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

alpha-Cyclopentylmandelic acid

Names & Synonyms

Cyclopentylphenylglycolic acidcyclopentylmandelic acidBenzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-.ALPHA.-CYCLOPENTYLMANDELIC ACID2-CYCLOPENTYL-2-HYDROXY-2-(PHENYL)ACETIC ACID
Show all synonyms
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-(+-)-CYCLOPENTYLMANDELIC ACIDALPHA-CYCLOPENTYLMANDELIC ACID, (+-)-.ALPHA.-CYCLOPENTYLMANDELIC ACID, (+-)-Cyclopentyl-hydroxy-phenyl-acetic acidcyclopentyl(hydroxy)phenylacetic acidalpha-Cyclopentyl-DL-mandelic AcidCyclopentyl Mandelic Acid2-(RS)-Cyclopentyl-2-hydroxy-2-phenylacetic Acid (alpha-Cyclopentylmandelic Acid)cyclopentyl-mandelic acida-Cyclopentylmandelic acid2-cyclopentyl-2-hydroxy-2-phenyl-acetic acidOprea1_794057phenylcyclopentylglycolic acid
External Identifiers
EC NUMBER: 207-047-8DSSTOX SUBSTANCE ID: DTXSID601311832CHEMBL ID: CHEMBL1602552UNII: XY6HY5ZM28WIKIDATA ID: Q27294053
Experimental Spectrum References
13C NMR Spectra1H NMR SpectraATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR SpectraRaman Spectra — Bio-Rad Laboratories, Inc.
Literature & Patent References
DOI 10.1021/acs.jmedchem.2c00830Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.PMID 36263945Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.

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

Methyl cyclopentylmandelateCAS 19833-96-6
GlycopyrrolateCAS 596-51-0
N-Methyl-3-pyrrolidinyl CyclopentylmandelateCAS 13118-11-1
Phenylglyoxylic AcidCAS 611-73-4
2-Cyclopentyl-2-oxoacetic acidCAS 5763-56-4

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 19833-96-6Methyl cyclopentylmandelateCAS 596-51-0GlycopyrrolateCAS 13118-11-1N-Methyl-3-pyrrolidinyl CyclopentylmandelateCAS 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 427-49-6

What are the key identifiers for alpha-Cyclopentylmandelic acid (CAS 427-49-6)?

alpha-Cyclopentylmandelic acid is identified by CAS 427-49-6, with molecular formula C13H16O3, molecular weight 220.26, InChIKey WFLUEQCOAQCQLP-UHFFFAOYSA-N.

Does CAS 427-49-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Kelch-like ECH-associated protein 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 427-49-6?

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

Can I request supplier SDS for alpha-Cyclopentylmandelic acid?

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

Is CAS 427-49-6 available for quotation?

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

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