chempirical

O-Cresol

C7H8OCAS 95-48-7108.14 g/mol

Open in Covalent MOL file
HO
Phenol

Properties

Molecular formula
C7H8O
Molar mass
108.14 g/mol
Exact mass
108.0575 Da
Density
1.047 g/mL (at 20 °C)
Melting point
30 °C
Boiling point
191–192 °C
pKa
10.287
Flash point
81 °C (closed cup)
Water solubility
25 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
95-48-7
SMILES
Cc1ccccc1O
InChIKey
QWVGKYWNOKOFNN-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

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Names and synonyms

14 names · show all
  • Phenol, 2-methyl-
  • 2-Methylphenol
  • o-Hydroxytoluene
  • o-Methylphenol
  • o-Oxytoluene
  • 2-Cresol
  • o-Methylphenylol
  • 2-Hydroxytoluene
  • o-Toluol
  • 1-Hydroxy-2-methylbenzene
  • o-Cresylic acid
  • 1-Methyl-2-hydroxybenzene
  • NSC 23076
  • NSC 36809

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 95-48-7. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with O-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

O-Cresol-D8203645-65-2Labelled

Similar compounds

Dimethylphenol1300-71-661 % similar 3-Methylcatechol488-17-561 % similar 2,3-Dimethylphenol526-75-061 % similar 2-Bromo-3-methyl-phenol22061-78-556 % similar 2-Amino-3-methylphenol2835-97-456 % similar 2-Fluoro-3-methylphenol77772-72-656 % similar Catechol120-80-956 % similar O-Xylene95-47-656 % similar

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

Same formula

Benzyl alcohol100-51-6 Anisole100-66-3 P-Cresol106-44-5 M-Cresol108-39-4 (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one13173-09-6 Nortricyclenone-3695-05-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia