3-(4-Tert-butylphenoxy)butan-2-one
Basic information
- CAS
160875-28-5- Standard SMILES
CC(=O)C(C)Oc1ccc(C(C)(C)C)cc1- InChIKey
MLSSIEQFQKQUCS-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 3-(4-Tert-butylphenoxy)butan-2-one
- IUPAC
- 3-(4-tert-butylphenoxy)butan-2-one
- English name
- 3-[4-(tert-Butyl)phenoxy]-2-butanone
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31
Names & synonyms
3-(4-tert-butylphenoxy)butan-2-one160875-28-5DTXSID10344967RefChem:274898DTXCID402960413-[4-(tert-butyl)phenoxy]-2-butanoneMFCD002056393-[4-(tert-butyl)phenoxy]butan-2-oneMLSSIEQFQKQUCS-UHFFFAOYSA-NAKOS0050803482-Butanone, 3-(4-tert-butylphenoxy)-3-(4-tert-Butylphenoxy)-2-butanone #
Show more names
2-Butanone, 3-[4-(1,1-dimethylethyl)phenoxy]-
12K-017
Database identifiers
- CAS
160875-28-5- PubChem CID
- 600795
- DTXSID
DTXSID10344967
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 304.8 · 304.8±25.0 °C(Predicted)
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
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Compound notes
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