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Molecule record

2-methylpropyl acetate

C6H12O2

116.16 g/mol

Loading structure

Molecular properties

Formula
C6H12O2
Molar mass
116.16 g·mol−1
Exact mass
116.0837 Da
1
PubChem CID
8038

Functional groups

Alkane / alkyl carbon
Ester
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 110-19-0
  • 2-Methyl-1-propyl acetate
  • 2-Methylpropyl ester of acetic acid
  • 2-Methylpropyl ethanoate
  • 203-745-1
  • 7CR47FO6LF
  • Acetate d'isobutyle
  • Acetic acid, 2-methylpropyl ester
Show all 24 synonyms
  • Acetic acid, isobutyl ester
  • CHEBI:50569
  • DTXCID906837
  • DTXSID5026837
  • FEMA No. 2175
  • FEMA Number 2175
  • ISOBUTYL ACETATE
  • Isobutyl ester of acetic acid
  • Isobutyl ethanoate
  • Isobutylacetat
  • Isobutylacetate
  • Isobutylester kyseliny octove
  • NSC-8035
  • RefChem:5912
  • beta-Methylpropyl ethanoate
  • iso-butyl acetate

Structure identifiers

Canonical SMILES
CC(=O)OCC(C)C
Isomeric SMILES
CC(C)COC(=O)C
InChI
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey
GJRQTCIYDGXPES-UHFFFAOYSA-N
PubChem CID
8038

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 2-methylpropyl acetate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylpropyl acetate; 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