Molecular properties
- Formula
- C14H22
- Molar mass
- 190.33 g·mol−1
- Exact mass
- 190.1721 Da
- 4
- PubChem CID
- 16607
Molecule record
octylbenzene
C14H22
190.33 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-Phenyloctane
- 1-Phenyloctane, purum, >=98.0% (GC)
- 1-octylbenzene
- 218-582-1
- 2189-60-8
- 4-octylbenzene
- AI3-16044
- AKOS009097321
Show all 24 synonyms
- Benzene, octyl-
- CS-0152266
- DTXCID8036570
- DTXSID2062240
- MFCD00009564
- NSC-404115
- O0046
- Octane, 1-phenyl-
- Octylbenzol
- P5EAX722SI
- Phenyloctane
- RefChem:167906
- UNII-P5EAX722SI
- Z199507044
- n-Octylbenzene
- octyl benzene
Structure identifiers
- Canonical SMILES
- CCCCCCCCc1ccccc1
- Isomeric SMILES
- CCCCCCCCC1=CC=CC=C1
- InChI
- InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
- InChIKey
- CDKDZKXSXLNROY-UHFFFAOYSA-N
- PubChem CID
- 16607
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 octylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for octylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.