2,4-Dimethylphenol

C₈H₁₀OCAS 105-67-9122.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀O
Molar mass: 122.17 g/mol
Exact mass: 122.0732 Da
Density: 0.965 g/mL (at 20 °C)
Melting point: 24.54 °C
Boiling point: 211.5 °C (at 766 Torr)
pKa: 10.6 (25 °C)
Flash point: 112 °C (closed cup)
Water solubility: 7.9 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), 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

105-67-9

SMILES

Cc1ccc(O)c(C)c1

InChIKey

KUFFULVDNCHOFZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Phenol, 2,4-dimethyl-
2,4-Xylenol
4,6-Dimethylphenol
1-Hydroxy-2,4-dimethylbenzene
m-Xylenol
4-Hydroxy-1,3-dimethylbenzene
2,4-DMP
NSC 3829

Work with 2,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethylphenol95-87-467 % similar 4-Methylcatechol452-86-865 % similar 2-Iodo-4-methylphenol16188-57-162 % similar Methylhydroquinone95-71-660 % similar 2-Chloro-4-methylphenol6640-27-358 % similar 1,2,4-Trimethylbenzene95-63-657 % similar 4-Chloro-2-methylphenol1570-64-556 % similar 4-Bromo-2-methylphenol2362-12-156 % 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 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 Dimethylphenol1300-71-6 1-Phenylethanol13323-81-4 (S)-1-Phenylethanol1445-91-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook