Molecular properties
- Formula
- C9H12
- Molar mass
- 120.19 g·mol−1
- Exact mass
- 120.0939 Da
- 4
- 0
- 0
- 0.00 Ų
- 3.7 (PubChem computed XLogP3-AA descriptor)
- CAS
- 98-82-8
- PubChem CID
- 7406
Molecule record
CUMENE
C9H12
120.19 g/mol
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
Alkene
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3.7 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (1-Methylethyl)benzene
- (propan-2-yl)benzene
- 2-Fenilpropano
- 2-Fenyl-propaan
- 2-Phenylpropane
- 8Q54S3XE7K
- 98-82-8
- Benzene, (1-methylethyl)-
Show all 21 synonyms
- Benzene, isopropyl
- Cumeen
- Cumol
- DTXSID1021827
- ISOPROPYL BENZENE
- Isopropilbenzene
- Isopropyl-benzol
- Isopropylbenzeen
- Isopropylbenzene
- Isopropylbenzol
- Phenol bottoms
- Propane, 2-phenyl
- RCRA waste number U055
Structure identifiers
- Canonical SMILES
- CC(C)C1=CC=CC=C1
- Isomeric SMILES
- CC(C)C1=CC=CC=C1
- InChI
- InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
- InChIKey
- RWGFKTVRMDUZSP-UHFFFAOYSA-N
- PubChem CID
- 7406
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
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 CUMENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for CUMENE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.