Dimethylphenol

C₈H₁₀OCAS 1300-71-6122.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀O
Molar mass: 122.17 g/mol
Exact mass: 122.0732 Da
Density: 1.02–1.03 g/mL (at 15 °C)
Melting point: 20–76 °C
Boiling point: 203–225 °C
pKa: 10.2, 10.54 (25 °C)
Water solubility: 40 g/L (25 °C)
logP: 2.01Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-006-00-X[4]), via PubChem.

Precautionary statements

P260, P262, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P405, P501

Identifiers

CAS number

1300-71-6

SMILES

CC1=C(C(=CC=C1)O)C

InChIKey

QWBBPBRQALCEIZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

Phenol, dimethyl-
Xylenol
Sudol
2,3-Dimethylphenol

Work with Dimethylphenol

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.

2,3-Dimethylphenol526-75-0

Similar compounds

2-Methylresorcinol608-25-371 % similar 1,2,3-Trimethylbenzene526-73-862 % similar O-Cresol95-48-761 % similar 3-Methylcatechol488-17-560 % similar 3-Chloro-2-methylphenol3260-87-558 % similar 2-Amino-o-cresol53222-92-758 % similar 3-Bromo-2-methylphenol7766-23-658 % similar 2-Bromo-3-methyl-phenol22061-78-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylanisole100-84-5 Ethyl phenyl ether103-73-1 4-Methylanisole104-93-8 2,4-Dimethylphenol105-67-9 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 1-Phenylethanol13323-81-4 (S)-1-Phenylethanol1445-91-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook