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Molecule record

butan-2-ylbenzene

C10H14

134.22 g/mol

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Molecular properties

Formula
C10H14
Molar mass
134.22 g·mol−1
Exact mass
134.1096 Da
4
PubChem CID
8680

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-Methylpropyl)benzene
  • (methylpropyl)benzene
  • 1-sec-butylbenzene
  • 135-98-8
  • 2-Phenylbutane
  • 205-227-0
  • B70I0RSX3J
  • BRN 1903902
Show all 24 synonyms
  • Benzene, (1-methylpropyl)-
  • Benzene, sec-butyl-
  • CHEBI:35097
  • DTXCID902333
  • DTXSID2022333
  • EINECS 205-227-0
  • HSDB 7212
  • MFCD00009329
  • NSC-8466
  • RefChem:182125
  • SEC-BUTYLBENZENE
  • Secondary butylbenzene
  • UNII-B70I0RSX3J
  • ec-Butylbenzene
  • s-Butylbenzene
  • secbutylbenzene

Structure identifiers

Canonical SMILES
CCC(C)c1ccccc1
Isomeric SMILES
CCC(C)C1=CC=CC=C1
InChI
InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey
ZJMWRROPUADPEA-UHFFFAOYSA-N
PubChem CID
8680

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 butan-2-ylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for butan-2-ylbenzene; 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