chempirical

P-Cresol

C7H8OCAS 106-44-5108.14 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C7H8O
Molar mass
108.14 g/mol
Exact mass
108.0575 Da
Density
1.0185 g/mL (at 40 °C)
Melting point
35.5 °C
Boiling point
201.8 °C
pKa
10.26
Flash point
86 °C (closed cup)
Water solubility
19 g/L (25 °C)
logP
1.70Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, P501

Identifiers

CAS number
106-44-5
SMILES
Cc1ccc(O)cc1
InChIKey
IWDCLRJOBJJRNH-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3

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Names and synonyms

14 names · show all
  • Phenol, 4-methyl-
  • 4-Methylphenol
  • 4-Cresol
  • p-Cresylic acid
  • p-Hydroxytoluene
  • p-Methylphenol
  • p-Oxytoluene
  • p-Methylhydroxybenzene
  • p-Toluol
  • 4-Hydroxytoluene
  • p-Tolyl alcohol
  • 1-Hydroxy-4-methylbenzene
  • NSC 3696
  • 1-Methyl-4-hydroxybenzene

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 106-44-5. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with P-Cresol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

P-Xylene106-42-360 % similar Hydroquinone123-31-960 % similar 4-Bromotoluene106-38-750 % similar 3,5-Dimethylphenol108-68-950 % similar Bis(4-hydroxyphenyl)disulfide15015-57-350 % similar Orcinol504-15-450 % similar Di-p-tolyl613-33-250 % similar 4,4′-Dihydroxybiphenyl92-88-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyl alcohol100-51-6 Anisole100-66-3 M-Cresol108-39-4 (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one13173-09-6 O-Cresol-D8203645-65-2 Nortricyclenone-3695-05-6 O-Cresol95-48-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia