Basic information
- CAS
5505-84-0- Standard SMILES
CC(=O)CC(C)(C)C1CCC(C)CC1- InChIKey
FIHXKZYLIWLRND-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Names & identifiers
- Preferred name
- 2-Pentanone, 4-methyl-4-(4-methylcyclohexyl)-
- IUPAC
- 4-methyl-4-(4-methylcyclohexyl)pentan-2-one
- English name
- 4-methyl-4-(4-methylcyclohexyl)pentan-2-one
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
5505-84-0EINECS 226-849-92-Pentanone, 4-methyl-4-(4-methylcyclohexyl)-DTXSID1063938RefChem:477836DTXCID70418334-Methyl-4-(4-methylcyclohexyl)pentan-2-oneFIHXKZYLIWLRND-UHFFFAOYSA-NAKOS014102227NS000332374-Methyl-4-(4-methylcyclohexyl)-2-pentanone
Database identifiers
- CAS
5505-84-0- PubChem CID
- 79645
- DTXSID
DTXSID1063938- EC Number
- 226-849-9
- Nikkaji
- J210.562D
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 93 · 93-95 °C(Press: 3.5 Torr)
- Density
- 0.905 g/cm3 · 0.905 g/cm3
- EPA Substance Registry System
- 2 · 2-Pentanone, 4-methyl-4-(4-methylcyclohexyl)- (5505-84-0)
- 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.
Hazard information
Regulatory InformationChemical: 2-Pentanone, 4-methyl-4-(4-methylcyclohexyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pentanone, 4-methyl-4-(4-methylcyclohexyl)-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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