Description

o-Benzylbenzoic acid (CAS No. 612-35-1) is a high-purity organic compound with the molecular formula C₁₄H₁₂O₂ and IUPAC name 2-benzylbenzoic acid. This white to off-white crystalline powder is widely utilized in pharmaceutical synthesis, chemical research, and material science due to its versatile reactivity as a benzoic acid derivative. With a molecular weight of 212.24 g/mol, it exhibits excellent stability under standard laboratory conditions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in secure, tamper-evident packaging to guarantee integrity. Ideal for use as a synthetic intermediate, this compound is particularly valuable in the preparation of dyes, fragrances, and active pharmaceutical ingredients (APIs).

Key synonyms include: 2-Benzylbenzoic acid, alpha-Phenyl-o-toluic acid, and 2-(PHENYLMETHYL)BENZOIC ACID. Store in a cool, dry place away from strong oxidizers. For research use only; not intended for diagnostic or therapeutic applications.

Properties

• CAS Number: 612-35-1
• Complexity: 231
• IUPAC Name: 2-benzylbenzoic acid
• InChI: 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)
• InChI Key: FESDHLLVLYZNFY-UHFFFAOYSA-N
• Exact Mass: 212.083729621
• Molecular Formula: C14H12O2
• Molecular Weight: 212.24
• SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 212.083729621
• Synonyms: 2-Benzylbenzoic acid, 612-35-1, o-Benzylbenzoic acid, alpha-Phenyl-o-toluic acid, 2-(PHENYLMETHYL)BENZOIC ACID, XGQ9B53P0K, EINECS 210-305-2, NSC-74872, BENZYLBENZOIC ACID, O-, Benzoic acid, 2-(phenylmethyl)-, DTXSID20210104, .ALPHA.-PHENYL-O-TOLUIC ACID, NSC 74872, .ALPHA.-PHENYL-2-TOLUIC ACID, O-DIPHENYLMETHANECARBOXYLIC ACID, O-TOLUIC ACID, .ALPHA.-PHENYL-, DTXCID80132595, ALPHA-PHENYL-2-TOLUIC ACID, O-TOLUIC ACID, ALPHA-PHENYL-, 210-305-2, MFCD00002484, CHEMBL1879588, 2-BenzYl-Benzoic Acid, |A-Phenyl-o-toluic acid, UNII-XGQ9B53P0K, benzyl-benzoic acid, 2-Benzyl-benzoesaure, o-benzyl-benzoic acid, +/–Phenyl-o-toluic acid, alpha -Phenyl-o-toluic acid, NCIOpen2_003900, Oprea1_592465, SCHEMBL23003, 2-(phenylmethyl) benzoic acid, SCHEMBL6156425, SCHEMBL11753259, alpha-Phenyl-o-toluic acid, 97%, AAA61235, BCP10381, NSC74872, BDBM50129031, STL280198, ALPHA-PHENYL-ORTHO-TOLUIC ACID, AKOS000120266, CS-W015011, HY-W014295, NCGC00166230-01, AS-57303, PD171654, SY045478, DB-053816, NS00034614, EN300-20319, D70418, Q27293838, Z104477732, 17d

Application

o-Benzylbenzoic acid serves as a crucial intermediate in organic synthesis, particularly in the production of anthraquinone dyes and pharmaceutical compounds. Researchers employ this compound in studying esterification reactions and carboxyl group transformations. In material science, it finds application as a building block for liquid crystals and specialty polymers. The benzyl-protected carboxyl group makes it valuable in multi-step synthetic pathways requiring orthogonal protection strategies.

Safety and Hazards

GHS Hazard Statements

• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (75%)
• Eye Irrit. 2 (75%)
• STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.