8.21902

3-Methylbenzoic acid

for synthesis

• Synonym(s): 3-Methylbenzoic acid, m-Toluic acid
• Linear Formula: 3-(CH₃)C₆H₄COOH
• CAS Number: 99-04-7
• Molecular Weight: 136.15
• MDL number: MFCD00002523
• UNSPSC Code: 12352106
• EC Index Number: 202-723-9
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: ≥98.0% (HPLC)
• form: solid
• autoignition temp.: 500 °C
• potency: 7000 mg/kg LD₅₀, oral (Rat)
• pH: 3.4 (20 °C in H₂O, saturated solution)
• bp: 263 °C/1013 hPa
• mp: 108-111 °C
• transition temp: flash point 150 °C
• solubility: 1 g/L
• bulk density: 500 kg/m³
• storage temp.: 2-30°C
• SMILES string: OC(=O)c1cc(ccc1)C
• InChI: 1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
• InChI key: GPSDUZXPYCFOSQ-UHFFFAOYSA-N

Description

Application

• Laccase-mediated Oligomerization: Explores the enzymatic oligomerization of 4-hydroxybenzoic acid which could lead to new materials with improved stability and functionality, useful in material science and drug delivery systems (Slagman et al., 2016).

Analysis Note

Assay (HPLC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 110 °C
Melting range (upper value): ≤ 113 °C
Identity (IR): passes test

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H319
• Precautionary Statements: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 302.0 °F
• Flash Point(C): 150 °C