12-oxo Phytodienoic Acid - Ethanol solution , CAS No.85551-10-6

CAS: 85551-10-6 Cat. No.: O769814 Summenformel: C18H28O3 Molekulargewicht: 292.41 PubChem CID: 5280411
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GRADE & PURITY Ethanol solution
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
Size
Deutschland (EU)
USA*
Price
Qty
1mg
O769814-1mg
Auf Bestellung · 8–12 Wochen

1.860,35€

2.170,13€
Speichern 309,78 € (14.27%)
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Why this grade

Ethanol solution for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Desiccated Ships Ice chest + Ice pads 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

Spezifikationen & Reinheit
Ethanol solution
Storage
Store at -20°C,Desiccated
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Namen und Kennungen
Kanonisches LächelnCCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O
IUPAC Name8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
InChIKeyPMTMAFAPLCGXGK-JMTMCXQRSA-N
INCHI1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1
Isomere SMILES CC/C=C\C[C@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O
PubChem CID 5280411
Molekulargewicht 292.41

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
SuperclassLipids and lipid-like molecules
KlasseFatty Acyls
SubclassEicosanoids
Intermediate Tree Nodes Not available
Direct ParentProstaglandins and related compounds
Alternative Parents Medium-chain fatty acids  Cyclic ketones  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Prostaglandin skeleton - Medium-chain fatty acid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
External Descriptors 12-oxophytodienoic acid metabolites
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht292.400 g/mol
XLogP34.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass292.204 Da
Monoisotopic Mass292.204 Da
Topological Polar Surface Area54.400 Ų
Heavy Atom Count21
Formal Charge0
Complexity382.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Lösungsrechner
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