Molecular properties
- Formula
- C12H18
- Molar mass
- 162.28 g·mol−1
- Exact mass
- 162.1409 Da
- 4
- PubChem CID
- 20546
Molecule record
hexan-3-ylbenzene
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-ETHYLBUTYL)BENZENE
- (1-Ethylbutyl)benzene #
- (3-Hexyl)benzene
- (ethylbutyl)benzene
- 1-(HEXAN-3-YL)BENZENE
- 3-(3-Hexyl)phenol
- 3-Phenylhexane
- 4468-42-2
Show all 24 synonyms
- Benzene, (1-ethylbutyl)-
- DTXCID2021492
- DTXSID4041492
- Hexane, 3-phenyl-
- KIQ0N3DUG5
- RefChem:198395
- SCHEMBL1111815
- SCHEMBL233437
- SCHEMBL233438
- SCHEMBL2824289
- SCHEMBL536776
- SCHEMBL536830
- SCHEMBL814927
- SCHEMBL815622
- SLVCCWGFGQVDMN-UHFFFAOYSA-N
- UNII-KIQ0N3DUG5
Structure identifiers
- Canonical SMILES
- CCCC(CC)c1ccccc1
- Isomeric SMILES
- CCCC(CC)C1=CC=CC=C1
- InChI
- InChI=1S/C12H18/c1-3-8-11(4-2)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
- InChIKey
- SLVCCWGFGQVDMN-UHFFFAOYSA-N
- PubChem CID
- 20546
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 hexan-3-ylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for hexan-3-ylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.