p-Cumenyl cyclopropyl ketone
Basic information
- CAS
6952-91-6- Standard SMILES
CC(C)c1ccc(C(=O)C2CC2)cc1- InChIKey
CMKCTUAFZPHYTE-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- p-Cumenyl cyclopropyl ketone
- IUPAC
- cyclopropyl-(4-propan-2-ylphenyl)methanone
- English name
- p-cumenyl cyclopropyl ketone
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
p-Cumenyl cyclopropyl ketone6952-91-6cyclopropyl(4-isopropylphenyl)methanonecyclopropyl-(4-propan-2-ylphenyl)methanoneNSC70848EINECS 230-131-0cyclopropyl[4-(propan-2-yl)phenyl]methanoneCyclopropyl[4-(1-methylethyl)phenyl]methanoneSCHEMBL2923177DTXSID40219775CMKCTUAFZPHYTE-UHFFFAOYSA-NNSC 70848
Show more names
Methanone, cyclopropyl[4-(1-methylethyl)phenyl]-
NSC-70848AKOS000346294DB-319038NS00036876A1-04976
Database identifiers
- CAS
6952-91-6- PubChem CID
- 81395
- DTXSID
DTXSID40219775- EC Number
- 230-131-0
- Nikkaji
- J265.991C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 299.8 · 299.8±9.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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