2-Hexanone, 5-phenyl-
Basic information
- CAS
18216-74-5- Standard SMILES
CC(=O)CCC(C)c1ccccc1- InChIKey
UBTPKYDISLNBLJ-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 2-Hexanone, 5-phenyl-
- IUPAC
- 5-phenylhexan-2-one
- English name
- 5-Phenyl-2-hexanone
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
2-Hexanone, 5-phenyl-18216-74-55-Methyl-5-phenylpentane-2-oneDTXSID20885018RefChem:472864DTXCID1010244305-Phenyl-2-hexanoneSCHEMBL270135UBTPKYDISLNBLJ-UHFFFAOYSA-NEN300-1861806
Database identifiers
- CAS
18216-74-5- PubChem CID
- 86678
- DTXSID
DTXSID20885018- Nikkaji
- J422.017J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 122 · 122-125 °C
- Density
- 0.958 g/cm3 · 0.958 g/cm3(Temp: 25 °C)
- EPA Substance Registry System
- 2 · 2-Hexanone, 5-phenyl- (18216-74-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Hexanone, 5-phenyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…