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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-tert-Butylcalix[4]arene tetraacetic acid , CAS No.113215-72-8
Synonyms
4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID | 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(carboxymethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetic acid | 2,2',2'',2'''-((15,35
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Why this grade 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 Synonyms
4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID | 2-[[5, 11, 17, 23-tetratert-butyl-26, 27, 28-tris(carboxymethoxy)-25-pentacyclo[19.3.1.13, 7.19, 13.115, 19]octacosa-1(24), 3, 5, 7(28), 9, 11, 13(27), 15(26), 16, 18, 21(25), 22-dodecaenyl]oxy]acetic acid | 2, 2', 2'', 2'''-((15, 35
Product Properties Names and Identifiers Canonical Smiles CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)O)CC4=CC(=CC(=C4OCC(=O)O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OCC(=O)O)C(C)(C)C)C(C)(C)C)OCC(=O)O IUPAC Name 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(carboxymethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetic acid InChIKey ZETVCUDJYLSJEM-UHFFFAOYSA-N INCHI 1S/C52H64O12/c1-49(2,3)37-17-29-13-31-19-38(50(4,5)6)21-33(46(31)62-26-42(55)56)15-35-23-40(52(10,11)12)24-36(48(35)64-28-44(59)60)16-34-22-39(51(7,8)9)20-32(47(34)63-27-43(57)58)14-30(18-37)45(29)61-25-41(53)54/h17-24H,13-16,25-28H2,1-12H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60) Isomeric SMILES CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)O)CC4=CC(=CC(=C4OCC(=O)O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OCC(=O)O)C(C)(C)C)C(C)(C)C)OCC(=O)O Molecular Weight 881.1 Reaxy-Rn 4837763 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4837763&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 Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Tetracarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Tetracarboxylic acids and derivatives Alternative Parents Phenoxyacetic acid derivatives Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homopolycyclic compounds Substituents Tetracarboxylic acid or derivatives - Phenoxyacetate - Alkyl aryl ether - Benzenoid - Ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound Description This 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 881.100 g/mol XLogP3 12.600 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 16 Exact Mass 880.44 Da Monoisotopic Mass 880.44 Da Topological Polar Surface Area 186.000 Ų Heavy Atom Count 64 Formal Charge 0 Complexity 1300.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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