Mesitylene (C9H12)

Mesitylene (C9H12; CAS 108-67-8) is a practical retrosynthesis target. Mesitylene presents a C9 framework, aromatic rings. Open AI route search in one click below.

Target: Mesitylene
CAS: 108-67-8
Formula: C9H12
Approx. MW: 120.20
SMILES: Cc1cc(C)cc(C)c1
PubChem CID: 7947
Approx. carbons: C9

Mesitylene structure

Properties

IUPAC name: 1,3,5-trimethylbenzene
Common names: MESITYLENE; 1,3,5-Trimethylbenzene; 108-67-8; sym-Trimethylbenzene; 3,5-Dimethyltoluene; Fleet-X; Trimethylbenzol; Benzene, 1,3,5-trimethyl-; DTXSID6026797; 887L18KQ6X
Molecular weight: 120.19
Exact mass: 120.09
InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
Melting point: -49 °F (NIOSH, 2024)
Boiling point: 329 °F at 760 mmHg (NIOSH, 2024)
Density: 0.86 (NIOSH, 2024) - Less dense than water; will float

View on PubChem

Mesitylene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Mesitylene?

Mesitylene has molecular formula C9H12. Molecular weight about 120.20 g·mol⁻¹.

What is the CAS number of Mesitylene?

The CAS Registry Number for Mesitylene is 108-67-8.

Run AI retrosynthesis for Mesitylene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C9H12.

Related targets

Similar compounds

1-Ethyl-2-methylbenzene 3-Ethyltoluene 4-Ethyltoluene Cumene Hemimellitene Propylbenzene

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.