Molecular properties
- Formula
- C12H18
- Molar mass
- 162.28 g·mol−1
- Exact mass
- 162.1409 Da
- 4
- PubChem CID
- 14109
Molecule record
hexylbenzene
C12H18
162.28 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Phenylhexane
- 1-hexylbenzene
- 1077-16-3
- 214-070-7
- 3GZ
- 4-hexylbenzene
- 6-PHENYLHEXANE
- 8E3D1A2BZP
Show all 24 synonyms
- BAA07716
- Benzene, hexyl-
- CCG-40547
- CHEBI:88569
- DTXCID0033091
- DTXSID8061476
- EINECS 214-070-7
- EN300-20866
- H0136
- Hexane, 1-phenyl-
- Hexylbenzene, 97%
- MFCD00009526
- N-HEXYLBENZENE
- NSC-86141
- NSC86141
- RefChem:146361
Structure identifiers
- Canonical SMILES
- CCCCCCc1ccccc1
- Isomeric SMILES
- CCCCCCC1=CC=CC=C1
- InChI
- InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
- InChIKey
- LTEQMZWBSYACLV-UHFFFAOYSA-N
- PubChem CID
- 14109
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for hexylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for hexylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.