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Molecule record

MESITYLENE

C9H12

120.19 g/mol

2D structure for MESITYLENE

Molecular properties

Formula
C9H12
Molar mass
120.19 g·mol−1
Exact mass
120.0939 Da
4
0
0
0.00 Ų
3.4 (PubChem computed XLogP3-AA descriptor)
CAS
108-67-8
PubChem CID
7947

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Aromatic ring

Physical properties

PropertyValueConditionsSource
Logp3.4PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1,3,5-Trimethylbenzene
  • 1,3,5-trimethyl-benzene
  • 108-67-8
  • 2,4,6-trimethylbenzene
  • 203-604-4
  • 3,5-Dimethyltoluene
  • 887L18KQ6X
  • Benzene, 1,3,5-trimethyl-
Show all 22 synonyms
  • CAS-108-67-8
  • CHEBI:34833
  • DTXCID506797
  • DTXSID6026797
  • Fleet-X
  • MFCD00008538
  • NSC 9273
  • NSC-9273
  • RefChem:6006
  • Symmetrical trimethylbenzene
  • Trimethylbenzene, 1,3,5-
  • Trimethylbenzol
  • s-Trimethylbenzene
  • sym-Trimethylbenzene

Structure identifiers

Canonical SMILES
CC1=CC(=CC(=C1)C)C
Isomeric SMILES
CC1=CC(=CC(=C1)C)C
InChI
InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
InChIKey
AUHZEENZYGFFBQ-UHFFFAOYSA-N
PubChem CID
7947

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for MESITYLENE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for MESITYLENE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record