chempirical

P-Xylene

C8H10CAS 106-42-3106.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C8H10
Molar mass
106.17 g/mol
Exact mass
106.0783 Da
Density
0.861 g/mL (at 20 °C)
Melting point
13.2 °C
Boiling point
138.35 °C
Flash point
25 °C (closed cup)
Water solubility
165 mg/L (25 °C)
logP
2.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
106-42-3
SMILES
Cc1ccc(C)cc1
InChIKey
URLKBWYHVLBVBO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1,4-dimethyl-
  • 1,4-Dimethylbenzene
  • p-Xylol
  • 1,4-Xylene
  • p-Dimethylbenzene
  • p-Methyltoluene
  • 4-Methyltoluene
  • p-Phenylenebis(methylene)
  • NSC 72419

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 106-42-3. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with P-Xylene

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.

3,6-Di(methyl-d3)benzene-1,2,4,5-d441051-88-1Labelled

Similar compounds

Di-p-tolyl613-33-275 % similar Toluene108-88-367 % similar p-Tolyl disulfide103-19-564 % similar 1,2-Bis(4-methylphenyl)ethane538-39-664 % similar Tri-p-tolylphosphine1038-95-560 % similar 4-Bromotoluene106-38-760 % similar 4-Chlorotoluene106-43-460 % similar P-Cresol106-44-560 % similar

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

Same formula

Ethylbenzene100-41-4 M-Xylene108-38-3 1,3,5-Cyclooctatriene1871-52-9 6,6-Dimethylfulvene2175-91-9 1,7-Octadiyne871-84-1 O-Xylene95-47-6

Elsewhere

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