Molecular properties
- Formula
- C7H14O2
- Molar mass
- 130.19 g·mol−1
- Exact mass
- 130.0994 Da
- 1
- PubChem CID
- 31276
Molecule record
3-methylbutyl acetate
C7H14O2
130.19 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Ester
Ether
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Butanol, 3-methyl-, acetate
- 123-92-2
- 3-Methyl-1-butanol acetate
- 3-Methyl-1-butyl acetate
- 3-Methylbutyl ethanoate
- Acetic acid 3-methylbutyl ester
- Acetic acid, isopentyl ester
- Amyl acetate, common
Show all 24 synonyms
- Amylacetic ester
- CHEBI:31725
- DTXCID005453
- DTXSID9025453
- FEMA No. 2055
- I-Amyl acetate
- ISOAMYL ACETATE
- Iso-amyl acetate
- Isoamyl alcohol acetate
- Isoamyl ethanoate
- Isoamylester kyseliny octove
- Isopentyl acetate
- Isopentyl alcohol, acetate
- Isopentyl ethanoate
- NSC-9260
- beta-Methylbutyl acetate
Structure identifiers
- Canonical SMILES
- CC(=O)OCCC(C)C
- Isomeric SMILES
- CC(C)CCOC(=O)C
- InChI
- InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
- InChIKey
- MLFHJEHSLIIPHL-UHFFFAOYSA-N
- PubChem CID
- 31276
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-methylbutyl acetate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methylbutyl acetate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.