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Merck o-Cresol

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809692.1000
for synthesis

Synonym(s):  o-Cresol, 2-Hydroxytoluene, 2-Methylphenol

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Linear Formula:  2-(CH3)C6H4OH

CAS Number:  95-48-7

Molecular Weight:  108.14

MDL number:  MFCD00002226

UNSPSC Code:  12352104

EC Index Number:  202-423-8

NACRES:  NA.22

grade:  for synthesis

            synthesis grade

bp:  191-192 °C/1013 hPa

vapor pressure:  0.24 hPa ( 20 °C)


Grade:  for synthesis

            synthesis grade

Quality Level:  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

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.[1]
  • Polyisobutylenes by selective cationic polymerization of isobutylene using AlCl3 as a catalyst.[2]
  • Poly(o-cresol) via oxidative coupling polymerization reaction in the presence of substituted pyridine/CuCl catalysts.[3]

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.

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