Butyl 2-acetoxypropanoate
Basic information
- CAS
5422-69-5- Standard SMILES
CCCCOC(=O)C(C)OC(C)=O- InChIKey
FRKISMRVEIRXFS-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- Butyl 2-acetoxypropanoate
- IUPAC
- butyl 2-acetyloxypropanoate
- English name
- butyl 2-acetyloxypropanoate
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22
Names & synonyms
butyl 2-acetoxypropanoate5422-69-5DTXSID20279276RefChem:330981DTXCID50230431NSC12060BUTYL 2-(ACETYLOXY)PROPANOATESCHEMBL170288052-acetoxypropionic acid butyl esterNSC-12060butyl 2-acetyloxypropanoatePropanoic acid, 2-(acetyloxy)-, butyl ester
Database identifiers
- CAS
5422-69-5- PubChem CID
- 223944
- DTXSID
DTXSID20279276- Nikkaji
- J262.252A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 243.23 °C · 243.23°C (rough estimate)
- Density
- 1.0725 · 1.0725 (rough estimate)
- refractive index
- 1.418 · 1.4180 (estimate)
- Water Solubility
- 166 mg/L · 166mg/L(25 ºC)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…