Structure via PubChem · Public domain (PubChem)
isobutyl acetate
Sign in to saveAlso known as Isobutyl ester of acetic acid, 2-Methylpropyl acetate, 2-Methylpropyl ester of acetic acid, β-Methylpropyl ethanoate, isobutyl ethanoate, 2-methylpropyl ethanoate, acetic acid, 2-methylpropyl ester, acetic acid, isobutyl ester
chemical compound
Chemical data
- Formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
- IUPAC name
- 2-methylpropyl acetate
- SMILES
- CC(C)COC(=O)C
- InChIKey
- GJRQTCIYDGXPES-UHFFFAOYSA-N
- XLogP
- 1.8
- Polar surface area
- 26.3 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Has part
- oxygen
- Mass
- 116.084
Show 18 more facts
- has characteristic
- bitterness
- melting point
- -98.85
- chemical formula
- C₆H₁₂O₂
- NIOSH Pocket Guide ID
- 0351
- density
- 0.87
- immediately dangerous to life or health
- 6175
- boiling point
- 116.55
- vapor pressure
- 13
- flash point
- 64
- solubility
- 0.6
- lower flammable limit
- 1.3
- upper flammable limit
- 10.5
- ionization energy
- 9.97
- time-weighted average exposure limit
- 700
- Commons category
- Isobutyl acetate
- canonical SMILES
- CC(C)COC(=O)C
- found in taxon
- Oreotragus oreotragus
- smells of
- strawberry
Sources (3)
via Wikidata · CC0