1-Phenylbutyl butanoate
Basic information
- CAS
7476-99-5- Standard SMILES
CCCC(=O)OC(CCC)c1ccccc1- InChIKey
CZGFHZMJKNJDBZ-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 1-Phenylbutyl butanoate
- IUPAC
- 1-phenylbutyl butanoate
- English name
- Butanoic acid 1-phenylbutyl ester
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31
Names & synonyms
1-phenylbutyl butanoate7476-99-5NSC404618DTXSID00323665NSC-404618Butanoic acid 1-phenylbutyl ester
Database identifiers
- CAS
7476-99-5- PubChem CID
- 346388
- DTXSID
DTXSID00323665- Nikkaji
- J155.133G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 285.3 · 285.3±9.0 °C(Predicted)
- Density
- 0.976 · 0.976±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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