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
In the Vinony graph
Within Vinony's link graph, isobutyl acetate is referenced by 51 other articles, and connects out to ester, (±)-sec-butyl acetate and Pyrus.
It sits within the topics Acetate esters, Chembox image size set and ECHA InfoCard ID from Wikidata.
Its subject is documented across 22 Wikipedia language editions.
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
Connections
ester
Entity
(±)-sec-butyl acetate
Entity
Pyrus
Entity
chemical compound
Entity
headache
Entity
mass density
Entity
chemical formula
Entity
melting point
Entity
boiling point
Entity
acetic acid
Entity
odor
Entity
raspberry
Entity
International Union of Pure and Applied Chemistry
Entity
molar mass
Entity
nausea
Entity
syncope
Entity
solvent
Entity
CAS Registry Number
Entity
vapor pressure
Entity
ethyl acetate
Entity