1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetrakis(2-ethylhexyl) ester - ≥95% , CAS No.3126-80-5

CAS: 3126-80-5 Cat. No.: B1040869 Peso molecular: 703 Número EC: 221-508-0 PubChem CID: 102940
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
B1040869-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
91,90US$
250mg
B1040869-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
152,90US$
1g
B1040869-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
398,90US$
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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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCCCCC(CC)COC(=O)C1=CC(=C(C=C1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
IUPAC Nametetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
InChIKeyGNCDUZFXTFAOBE-UHFFFAOYSA-N
INCHI1S/C42H70O8/c1-9-17-21-31(13-5)27-47-39(43)35-25-37(41(45)49-29-33(15-7)23-19-11-3)38(42(46)50-30-34(16-8)24-20-12-4)26-36(35)40(44)48-28-32(14-6)22-18-10-2/h25-26,31-34H,9-24,27-30H2,1-8H3
Isómeros SMILES CCCCC(CC)COC(=O)C1=CC(=C(C=C1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
PubChem CID 102940
Peso molecular 703

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
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassTetracarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentTetracarboxylic acids and derivatives
Alternative Parents Benzoic acid esters  Benzoyl derivatives  Carboxylic acid esters  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
External Descriptors Not available
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular703.000 g/mol
XLogP313.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count32
Exact Mass702.507 Da
Monoisotopic Mass702.507 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count50
Formal Charge0
Complexity789.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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