m-Xylene

C8H10CAS 108-38-3106.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C8H10
Molar mass
106.17 g/mol
Exact mass
106.0783 Da
Density
0.8684 g/mL (at 15 °C)
Melting point
−47.4 °C
Boiling point
139.3 °C
Critical temperature
343.9 °C (617.0 K)ChemSep
Critical pressure
35.41 barChemSep
Acentric factor
0.327ChemSep
Enthalpy of formation (gas)
17.32 kJ/molChemSep
Flash point
25 °C (closed cup)
Water solubility
160 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, index 601-022-00-9[3]), 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
108-38-3
SMILES
Cc1cccc(C)c1
InChIKey
IVSZLXZYQVIEFR-UHFFFAOYSA-N
InChI
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.14 (t, J = 7.7 Hz, 1H), 7.00 (t, J = 1.6 Hz, 1H), 6.97 (dd, J = 7.7, 1.6 Hz, 2H), 2.35 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 137.6, 129.8, 128.2, 126.2, 19.8.
[M + H]+
[M + H]+ Calcd for C8H11 107.0855
[M + Na]+
[M + Na]+ Calcd for C8H10Na 129.0675
[M − H]−
[M − H]− Calcd for C8H9 105.0710
Elemental analysis
Anal. Calcd for C8H10: C, 90.51; H, 9.49.

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

Names and synonyms

8 names
  • Benzene, 1,3-dimethyl-
  • 1,3-Dimethylbenzene
  • m-Dimethylbenzene
  • 1,3-Xylene
  • m-Methyltoluene
  • m-Xylol
  • NSC 61769
  • 3-Methyltoluene

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 108-38-3. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with m-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

Similar compounds

3,3'-Dimethylbiphenyl612-75-971 % similar m-Xylene-formaldehyde resin26139-75-368 % similar 3-Chlorotoluene108-41-863 % similar 3-Fluorotoluene352-70-563 % similar 3-Methylbiphenyl643-93-663 % similar m-Cresol108-39-460 % similar 3-Methylbenzenethiol108-40-760 % similar m-Toluidine108-44-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylbenzene100-41-4 p-Xylene106-42-3 1,3,5-Cyclooctatriene1871-52-9 6,6-Dimethylfulvene2175-91-9 3,6-Di(methyl-d3)benzene-1,2,4,5-d441051-88-1 1,7-Octadiyne871-84-1 o-Xylene95-47-6

Elsewhere

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