1-(4-Butan-2-ylphenoxy)propan-2-yl acetate
Basic information
- CAS
5436-95-3- Standard SMILES
CCC(C)c1ccc(OCC(C)OC(C)=O)cc1- InChIKey
FIKUKQZUOAUUJA-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 1-(4-Butan-2-ylphenoxy)propan-2-yl acetate
- IUPAC
- 1-(4-butan-2-ylphenoxy)propan-2-yl acetate
- English name
- 1-(4-butan-2-ylphenoxy)propan-2-yl acetate
- Molecular formula
- C15H22O3
- Molecular weight
- 250.33
Names & synonyms
1-(4-butan-2-ylphenoxy)propan-2-yl acetate5436-95-31-[4-(butan-2-yl)phenoxy]propan-2-yl acetateNSC217972-Propanol,1-[4-(1-methylpropyl)phenoxy]-, 2-acetateDTXSID10281484NSC-21797DS-0135782-Propanol, 1-[4-(1-methylpropyl)phenoxy]-, 2-acetate
Database identifiers
- CAS
5436-95-3- PubChem CID
- 228698
- DTXSID
DTXSID10281484
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 322.4 · 322.4±25.0 °C(Predicted)
- Density
- 1.001 · 1.001±0.06 g/cm3(Predicted)
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Compound notes
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