4-Methyl-4-(4-methylphenyl)pentan-2-one
Basic information
- CAS
10528-65-1- Standard SMILES
CC(=O)CC(C)(C)c1ccc(C)cc1- InChIKey
QZRGDINMCFJQNO-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 4-Methyl-4-(4-methylphenyl)pentan-2-one
- IUPAC
- 4-methyl-4-(4-methylphenyl)pentan-2-one
- English name
- 4-Methyl-4(p-tolyl)-2-pentanone
- Molecular formula
- C13H18O
- Molecular weight
- 190.28
Names & synonyms
10528-65-14-methyl-4-(4-methylphenyl)pentan-2-oneDTXSID10281924RefChem:294328DTXCID002330782-Pentanone,4-methyl-4-(4-methylphenyl)-4-Methyl-4-(p-tolyl)pentan-2-one4-Methyl-4(P-Tolyl)-2-PentanoneNSC23498SCHEMBL4406294NSC-23498AKOS002392357
Show more names
2-Pentanone, 4-methyl-4-(4-methylphenyl)-
4-methyl-4-(4-methylphenyl)-2-pentanone
Database identifiers
- CAS
10528-65-1- PubChem CID
- 229667
- DTXSID
DTXSID10281924
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 197
Physicochemical properties
- Boiling point
- 160 °C · 160 °C(Press: 37 Torr)
- Density
- 0.9594 g/cm3 · 0.9594 g/cm3
- 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
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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