8.09692

o-Cresol

for synthesis

• Synonym(s): o-Cresol, 2-Hydroxytoluene, 2-Methylphenol
• Linear Formula: 2-(CH₃)C₆H₄OH
• CAS Number: 95-48-7
• Molecular Weight: 108.14
• UNSPSC Code: 12352104
• EC Index Number: 202-423-8
• NACRES: NA.22
• MDL number: MFCD00002226
• Assay: ≥99% (GC)
• Grade: synthesis grade
• Bp: 191-192 °C/1013 hPa
• Vapor pressure: 0.24 hPa ( 20 °C)

Properties

• grade: synthesis grade
• Quality Segment: 200
• vapor pressure: 0.24 hPa ( 20 °C)
• assay: ≥99% (GC)
• form: solid
• autoignition temp.: 555 °C
• potency: 121 mg/kg LD₅₀, oral (Rat), 890 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.3 % (v/v)
• dilution: (for synthesis)
• pH: 4.8 (20 °C, 20 g/L in H₂O)
• bp: 191-192 °C/1013 hPa
• mp: 31 °C
• transition temp: flash point 81 °C
• solubility: 20 g/L
• density: 1.046 g/cm³ at 20 °C
• storage temp.: no temp limit
• SMILES string: Oc1c(cccc1)C
• InChI: 1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
• InChI key: QWVGKYWNOKOFNN-UHFFFAOYSA-N

Description

Application

o-Cresol can be used as a starting material to synthesize:

• Carvacrol by alkylation reaction with propylene or isopropyl alcohol in the presence of Zr/mesoporous silica as a catalyst.
• Polyisobutylenes by selective cationic polymerization of isobutylene using AlCl₃ as a catalyst.
• Poly(o-cresol) via oxidative coupling polymerization reaction in the presence of substituted pyridine/CuCl catalysts.

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 29 °C
Melting range (upper value): ≤ 33 °C
Water (K. F.): ≤ 0.10 %
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• pictograms: GHS06,GHS05
• signalword: Danger
• hcodes: H301 + H311,H314,H412
• pcodes: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 2
• flash_point_f: 177.8 °F - closed cup
• flash_point_c: 81.0 °C - closed cup