2,6-Dimethoxy-1-acetonylquinol - ≥95% , CAS No.2215-96-5

CAS: 2215-96-5 Cat. No.: D696723 PubChem CID: 241783
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
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Size
Status
Price
Qty
5mg
D696723-5mg
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesCC(=O)CC1(C(=CC(=O)C=C1OC)OC)O
IUPAC Name4-hydroxy-3,5-dimethoxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one
InChIKeyKMNCHTPRXWQOIZ-UHFFFAOYSA-N
INCHI1S/C11H14O5/c1-7(12)6-11(14)9(15-2)4-8(13)5-10(11)16-3/h4-5,14H,6H2,1-3H3
Isomeric SMILES CC(=O)CC1(C(=CC(=O)C=C1OC)OC)O
Alternate CAS 2215-96-5
PubChem CID 241783
NSC Number 49647

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentBeta-hydroxy ketones
Alternative Parents Vinylogous esters  Tertiary alcohols  Cyclic ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Beta-hydroxy ketone - Vinylogous ester - Tertiary alcohol - Cyclic ketone - Organic oxide - Hydrocarbon derivative - Alcohol - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as beta-hydroxy ketones. These are ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
G6PD Tchem Glucose-6-phosphate 1-dehydrogenase (778 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight226.230 g/mol
XLogP3-0.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass226.084 Da
Monoisotopic Mass226.084 Da
Topological Polar Surface Area72.800 Ų
Heavy Atom Count16
Formal Charge0
Complexity354.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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