T36803

p-Toluic acid

98%

• Synonym(s): 4-Methylbenzoic acid
• Linear Formula: CH₃C₆H₄CO₂H
• CAS Number: 99-94-5
• Molecular Weight: 136.15
• Beilstein/REAXYS Number: 507600
• EC Number: 202-803-3
• MDL number: MFCD00002565
• UNSPSC Code: 12352100
• PubChem Substance ID: 24900160
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• bp: 274-275 °C (lit.)
• mp: 177-180 °C (lit.)
• SMILES string: Cc1ccc(cc1)C(O)=O
• InChI: 1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
• InChI key: LPNBBFKOUUSUDB-UHFFFAOYSA-N

Description

Application

• One-Pot Synthesis of 1,3-Cyclohexadienes by Birch Reduction in the Presence of Carbonyl Compounds.: This paper presents a novel synthetic approach involving p-Toluic acid, useful for chemists and researchers in synthetic chemistry aiming to develop more efficient synthesis routes (Linker et al., 2024).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H317
• pcodes: P261 - P272 - P280 - P302 + P352 - P333 + P313 - P362 + P364
• Hazard Classifications: Skin Sens. 1
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 1
• flash_point_f: 357.8 °F
• flash_point_c: 181 °C
• ppe: Eyeshields, Gloves, type N95 (US)