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· · COA & SDS available for every product · Same-day shipping on in-stock items α-Phenyl-o-toluic acid - ≥97% , CAS No.612-35-1
Synonyms
o-Benzylbenzoic acid | o-benzyl-benzoic acid | 2-Benzyl-benzoesaure | PD171654 | EINECS 210-305-2 | FT-0632553 | .ALPHA.-PHENYL-O-TOLUIC ACID | BDBM50129031 | D70418 | NCIOpen2_003900 | alpha -Phenyl-o-toluic acid | ALPHA-PHENYL-ORTHO-TOLUIC ACID | NSC 74
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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
o-Benzylbenzoic acid | o-benzyl-benzoic acid | 2-Benzyl-benzoesaure | PD171654 | EINECS 210-305-2 | FT-0632553 | .ALPHA.-PHENYL-O-TOLUIC ACID | BDBM50129031 | D70418 | NCIOpen2_003900 | alpha -Phenyl-o-toluic acid | ALPHA-PHENYL-ORTHO-TOLUIC ACID | NSC 74
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488181480 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181480 Canonical Smiles C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O IUPAC Name 2-benzylbenzoic acid InChIKey FESDHLLVLYZNFY-UHFFFAOYSA-N INCHI 1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16) Isomeric SMILES C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O WGK Germany 3 PubChem CID 11924 Molecular Weight 212.24
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 Diphenylmethanes Intermediate Tree Nodes Not available Direct Parent Diphenylmethanes Alternative Parents Benzoic acids Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Diphenylmethane - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 112-115°C Molecular Weight 212.240 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 212.084 Da Monoisotopic Mass 212.084 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 231.000 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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