Molecule record

dodecylbenzene

C18H30

246.44 g/mol

Loading structure

Molecular properties

Formula
C18H30
Molar mass
246.44 g·mol−1
Exact mass
246.2347 Da
4
PubChem CID
31237

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-Dodecylbenzene; 1-Phenyl-n-dodecane; 1-Phenyldodecane
  • 1-Phenyldodecane
  • 1-dodecylbenzene
  • 123-01-3
  • 204-591-8
  • 29986-57-0
  • A2AX003680
  • Benzene, dodecyl-
Show all 24 synonyms
  • DTXCID706994
  • DTXSID7026994
  • Dodecane, 1-phenyl-
  • Dodecane, phenyl-
  • Dodecylbenzene, crude
  • Laurylbenzene
  • MFCD00008974
  • Marlican
  • NSC 102805
  • NSC-4584
  • Phenyldodecan
  • Phenyldodecan [German]
  • Phenyldodecane
  • RefChem:135513
  • WLN: 12R
  • n-Dodecylbenzene

Structure identifiers

Canonical SMILES
CCCCCCCCCCCCc1ccccc1
Isomeric SMILES
CCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
InChIKey
KWKXNDCHNDYVRT-UHFFFAOYSA-N
PubChem CID
31237

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for dodecylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for dodecylbenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record