Structure via PubChem · Public domain (PubChem)
isopropyl acetate
Sign in to saveAlso known as propan-2-yl acetate, isopropyl ester of acetic acid, 1-methylethyl ester of acetic acid, 2-propyl acetate
ester
In the Vinony graph
Vinony's link graph records 49 inbound references to isopropyl acetate, and connects out to plastic, oil and mass density.
It is catalogued under topics including Acetate esters, Chembox having GHS data and ECHA InfoCard ID from Wikidata.
Vinony links it to 21 Wikipedia language editions.
Chemical data
- Formula
- C5H10O2
- Molecular weight
- 102.13 g/mol
- IUPAC name
- propan-2-yl acetate
- SMILES
- CC(C)OC(=O)C
- InChIKey
- JMMWKPVZQRWMSS-UHFFFAOYSA-N
- XLogP
- 0.9
- 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
- Mass
- 102.068
Show 17 more facts
- Commons category
- Isopropyl acetate
- flash point
- 36
- NIOSH Pocket Guide ID
- 0358
- density
- 0.87
- immediately dangerous to life or health
- 7524
- melting point
- -73.4
- boiling point
- 88.6
- vapor pressure
- 42
- found in taxon
- Nicotiana tabacum
- solubility
- 3
- lower flammable limit
- 1.8
- upper flammable limit
- 8
- ionization energy
- 9.99
- time-weighted average exposure limit
- 950
- canonical SMILES
- CC(C)OC(=O)C
- chemical formula
- C₅H₁₀O₂
- smells of
- fruit
via Wikidata · CC0