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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid - ≥97% , CAS No.153559-46-7
Synonyms
4-[oxo-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid | SCHEMBL726140 | Benzoic acid, 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]- | 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonyl]benzoic aci
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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-[oxo-(3, 5, 5, 8, 8-pentamethyl-6, 7-dihydronaphthalen-2-yl)methyl]benzoic acid | SCHEMBL726140 | Benzoic acid, 4-[(5, 6, 7, 8-tetrahydro-3, 5, 5, 8, 8-pentamethyl-2-naphthalenyl)carbonyl]- | 4-[(3, 5, 5, 8, 8-pentamethyl-6, 7-dihydronaphthalen-2-yl)carbonyl]benzoic aci
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C IUPAC Name 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid InChIKey QADGBOQVBUXZKO-UHFFFAOYSA-N INCHI 1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26) Isomeric SMILES CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C PubChem CID 9810431 Molecular Weight 350.45
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 Benzenoids Class Benzene and substituted derivatives Subclass Benzophenones Intermediate Tree Nodes Not available Direct Parent Benzophenones Alternative Parents Naphthalenecarboxylic acids and derivatives Aryl-phenylketones Tetralins Benzoic acids Benzoyl derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Benzophenone - Aryl-phenylketone - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aryl ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 350.400 g/mol XLogP3 6.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 350.188 Da Monoisotopic Mass 350.188 Da Topological Polar Surface Area 54.400 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 554.000 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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