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Molecule record

butylbenzene

C10H14

134.22 g/mol

Loading structure

Molecular properties

Formula
C10H14
Molar mass
134.22 g·mol−1
Exact mass
134.1096 Da
4
PubChem CID
7705

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-Butylbenzene
  • 1-Phenylbutane
  • 104-51-8
  • 203-209-7
  • 4n-butylbenzene
  • BRN 1903395
  • Benzene, butyl-
  • Butane, phenyl-
Show all 24 synonyms
  • Butylbenzene, analytical standard
  • CHEBI:44194
  • CHEMBL195441
  • DTXCID902472
  • DTXSID6022472
  • EINECS 203-209-7
  • HSDB 7211
  • MFCD00009463
  • N-BUTYLBENZENE
  • N4B
  • NSC-8465
  • RefChem:829425
  • S8XZ2901RZ
  • UNII-S8XZ2901RZ
  • butyl benzene
  • n-butyl benzene

Structure identifiers

Canonical SMILES
CCCCc1ccccc1
Isomeric SMILES
CCCCC1=CC=CC=C1
InChI
InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKey
OCKPCBLVNKHBMX-UHFFFAOYSA-N
PubChem CID
7705

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 butylbenzene; not experimental data.

Simulated EI mass spectrum

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

Sources

Molecule identity

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

PubChem(link only)
Open source record