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8.09692

Sigma-Aldrich

o-Cresol

for synthesis

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

vapor pressure

0.24 hPa ( 20 °C)

Quality Level

200

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)

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

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.
  • 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.

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301 + H311,H314,H412

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B

WGK

WGK 2

Flash Point(F)

177.8 °F

Flash Point(C)

81.0 °C

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of highly reactive polyisobutylene by selective polymerization with o-cresol/AlCl3 initiating system
Zhang LB, et al.
Polymers For Advanced Technologies, 23(3) (2012)
Synthesis of carvacrol by Friedel-Crafts alkylation of o-cresol with isopropanol using superacidic catalyst UDCaT-5
Yadav GD and Kamble SB
Journal of Chemical Technology and Biotechnology, 84(10) (2009)
Synthesis of poly (o-cresol) by oxidative coupling polymerization of o-cresol
Aiba M, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 57(8) (2019)
Synthesis of carvacrol by Friedel-Crafts alkylation of o-cresol with isopropanol using superacidic catalyst UDCaT-5
Yadav GD and Kamble SB
Journal of Chemical Technology and Biotechnology, 84(10) (2009)

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