1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-2-phenyl-
Basic information
- CAS
24571-18-4- Standard SMILES
CC(C)C1OC(c2ccccc2)OCC1(C)C- InChIKey
KBQKRKYMBMMZIS-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-2-phenyl-
- IUPAC
- 5,5-dimethyl-2-phenyl-4-propan-2-yl-1,3-dioxane
- English name
- 4-isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxane
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33
Names & synonyms
1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-2-phenyl-RefChem:41476324571-18-44-Isopropyl-5,5-dimethyl-2-phenyl-1,3-dioxaneNSC25475EINECS 246-323-2AI3-311555,5-Dimethyl-2-phenyl-4-(propan-2-yl)-1,3-dioxaneSCHEMBL11132456DTXSID40947445KBQKRKYMBMMZIS-UHFFFAOYSA-NNSC46264
Show more names
2-Phenyl-4-isopropyl-5,5-dimethyl-1,3-dioxane5,5-Dimethyl-4-(1-methylethyl)-2-phenyl-1,3-dioxane
NSC 25475NSC 46264NSC-25475NSC-46264NS00049953
Database identifiers
- CAS
24571-18-4- PubChem CID
- 91198
- DTXSID
DTXSID40947445- EC Number
- 246-323-2
- Nikkaji
- J286.346D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 308.5 · 308.5±27.0 °C(Predicted)
- Density
- 0.963 · 0.963±0.06 g/cm3(Predicted)
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: 1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-2-phenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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Compound notes
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