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Molecule record

ISOPROPYL ACETATE

C5H10O2

102.13 g/mol

2D structure for ISOPROPYL ACETATE

Molecular properties

Formula
C5H10O2
Molar mass
102.13 g·mol−1
Exact mass
102.0681 Da
1
0
2
26.30 Ų
0.9 (PubChem computed XLogP3-AA descriptor)
CAS
108-21-4
PubChem CID
7915

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

No functional-group assignment has been curated yet.

Physical properties

PropertyValueConditionsSource
Logp0.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Methylethyl acetate
  • 108-21-4
  • 1Y67AFK870
  • 2-Acetoxypropane
  • 2-Propyl acetate
  • Acetate d'isopropyle
  • Acetic Acid, isopropyl ester
  • Acetic acid, 1-methylethyl ester
Show all 22 synonyms
  • DTXCID605478
  • DTXSID2025478
  • FEMA No. 2926
  • Isopropile (acetato di)
  • Isopropyl (acetate d')
  • Isopropyl ester of acetic acid
  • Isopropyl ethanoate
  • Isopropylacetaat
  • Isopropylacetat
  • Isopropyle (acetate d')
  • Isopropylester kyseliny octove
  • NSC-9295
  • Paracetat
  • propan-2-yl acetate

Structure identifiers

Canonical SMILES
CC(C)OC(=O)C
Isomeric SMILES
CC(C)OC(=O)C
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChIKey
JMMWKPVZQRWMSS-UHFFFAOYSA-N
PubChem CID
7915

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 ISOPROPYL ACETATE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for ISOPROPYL ACETATE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record