61030

Sigma-Aldrich

p-Cresol

puriss. p.a., ≥99.0% (GC)

Synonym(s):
4-Methylphenol
Linear Formula:
CH3C6H4OH
CAS Number:
Molecular Weight:
108.14
Beilstein/REAXYS Number:
1305151
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

vapor density

3.72 (vs air)

vapor pressure

1 mmHg ( 20 °C)

grade

puriss. p.a.

assay

≥99.0% (GC)

form

powder or crystals

autoignition temp.

1038 °F

expl. lim.

1 %
1.1 %, 150 °F

application(s)

GC/MS: suitable

bp

202 °C (lit.)

mp

32-34 °C (lit.)
32-35 °C

density

1.034 g/mL at 25 °C (lit.)

cation traces

Ca: ≤10 mg/kg
Cd: ≤5 mg/kg
Co: ≤5 mg/kg
Cr: ≤5 mg/kg
Cu: ≤5 mg/kg
Fe: ≤5 mg/kg
K: ≤50 mg/kg
Mg: ≤5 mg/kg
Mn: ≤5 mg/kg
Na: ≤10 mg/kg
Ni: ≤5 mg/kg
Pb: ≤5 mg/kg
Zn: ≤5 mg/kg

storage temp.

2-8°C

SMILES string

Cc1ccc(O)cc1

InChI

1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3

InChI key

IWDCLRJOBJJRNH-UHFFFAOYSA-N

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General description

Cresols exist in three isomeric forms: o-, m- and p-cresol. They have phenolic odor. p-cresol contamination in water samples has been determined by employing polyphenol oxidase at a graphite foil electrode. Chemical changes involved during the adsorption of p-cresol on the activated carbon at 278, 298 and 323K have been investigated. p-Cresol (4-Methylphenol) affords 4-methylcyclohexanol on hydrogenation in the presence of MoO3, MoO2, and MoS2 catalysts. It affords 4-methyl-2-nitrophenol, via reaction with nitrogen dioxide in solution.

Application

p-Cresol (4-Methylphenol) has been used in a study for the identification of volatile compounds from the meat samples aged for 4- and 8-days by gas chromatography-mass spectrometry.

Pictograms

CorrosionSkull and crossbones

Signal Word

Danger

Hazard Statements

RIDADR

UN 3455 8(6.1) / PGII

WGK Germany

WGK 2

Flash Point(F)

186.8 °F - closed cup

Flash Point(C)

86 °C - closed cup

Adsorption of phenol, cresol isomers and benzyl alcohol from aqueous solution on activated carbon at 278, 298 and 323 K.
Ravi VP, et al.
Journal of Chemical Technology and Biotechnology, 71(2), 173-179 (1998)
The determination of p-cresol in chloroform with an enzyme electrode used in the organic phase.
Hall GF, et al.
Analytica Chimica Acta, 213, 113-119 (1988)
The mechanism of nitration of phenol and 4-methylphenol by nitrogen dioxide in solution.
Coombes RG, et al.
Tetrahedron Letters, 35(34), 6373-6376 (1994)
Eagleson M.
Concise Encyclopedia Chemistry, 276-276 (1994)
Hydrodeoxygenation of 4-Methylphenol over Unsupported MoP, MoS2, and MoOx Catalysts?.
Whiffen VML and Smith KJ.
Energy and Fuels, 24(9), 4728-4737 (2010)

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