α-Cyclopentylmandelic acid - ≥98% , CAS No.427-49-6

CAS: 427-49-6 Cat. No.: C123162 Summenformel: C13H16O3 Molekulargewicht: 220.26 Beilstein Registry Number: 10(4)1064 EG-Nummer: 207-047-8
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GRADE & PURITY ≥98%
Synonyms
Cyclopentyl-hydroxy-phenyl-acetic acid | Cyclopentylhydroxy-phenylacetic acid | W-106263 | BB 0241799 | cyclopentylmandelic acid | cyclopentyl-mandelic acid | MFCD00019296 | NSC 96637 | BDBM50607324 | phenylcyclopentylglycolic acid | .ALPHA.-CYCLOPENTYLMA
Storage
Room temperature,Argon charged
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
1g
C123162-1g
—
8 Auf Lager
8,59€
5g
C123162-5g
—
9 Auf Lager
13,80€
10g
C123162-10g
—
2 Auf Lager
20,74€
25g
C123162-25g
—
8 Auf Lager
38,09€
100g
C123162-100g
—
5 Auf Lager
150,90€
500g
C123162-500g
1 Auf Lager
1 Auf Lager
746,17€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
Cyclopentyl-hydroxy-phenyl-acetic acid | Cyclopentylhydroxy-phenylacetic acid | W-106263 | BB 0241799 | cyclopentylmandelic acid | cyclopentyl-mandelic acid | MFCD00019296 | NSC 96637 | BDBM50607324 | phenylcyclopentylglycolic acid | .ALPHA.-CYCLOPENTYLMA
Spezifikationen & Reinheit
≥98%
Storage
Room temperature,Argon charged
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187114
Kanonisches Lächeln
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O
IUPAC Name
2-cyclopentyl-2-hydroxy-2-phenylacetic acid
InChIKey
WFLUEQCOAQCQLP-UHFFFAOYSA-N
INCHI
1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
Isomere SMILES
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O
WGK Deutschland
3
Molekulargewicht
220.26
Beilstein
10(4)1064
Reaxy-Rn
645730
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=645730&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlasseBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Alpha hydroxy acids and derivatives  Tertiary alcohols  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KEAP1 Tclin Kelch-like ECH-associated protein 1 (1736 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

23 results found

Lot NumberCertificate TypeDatumArtikel
E2415150Certificate of AnalysisApr 15, 2024 C123162
A2408810Certificate of AnalysisNov 23, 2023 C123162
A2408811Certificate of AnalysisNov 23, 2023 C123162
A2408812Certificate of AnalysisNov 23, 2023 C123162
A2408813Certificate of AnalysisNov 23, 2023 C123162
A2408814Certificate of AnalysisNov 23, 2023 C123162
A2408815Certificate of AnalysisNov 23, 2023 C123162
A2408816Certificate of AnalysisNov 23, 2023 C123162
A2408809Certificate of AnalysisNov 23, 2023 C123162
E2312325Certificate of AnalysisDec 14, 2022 C123162
H2631124Certificate of AnalysisDec 14, 2022 C123162
E2526173Certificate of AnalysisDec 14, 2022 C123162
E2312340Certificate of AnalysisDec 14, 2022 C123162
E2312337Certificate of AnalysisDec 14, 2022 C123162
E2312335Certificate of AnalysisDec 14, 2022 C123162
E2312334Certificate of AnalysisDec 14, 2022 C123162
E2312332Certificate of AnalysisDec 14, 2022 C123162
E2312327Certificate of AnalysisDec 14, 2022 C123162
E2312322Certificate of AnalysisDec 14, 2022 C123162
E2312321Certificate of AnalysisDec 14, 2022 C123162
I2201030Certificate of AnalysisSep 05, 2022 C123162
H1408198Certificate of AnalysisJun 11, 2022 C123162
D1402024Certificate of AnalysisFeb 19, 2022 C123162
Chemische und physikalische Eigenschaften
Schmelzpunkt (°C)146.0-150.0°C
Molekulargewicht220.260 g/mol
XLogP32.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass220.11 Da
Monoisotopic Mass220.11 Da
Topological Polar Surface Area57.500 Ų
Heavy Atom Count16
Formal Charge0
Complexity252.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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