Basic information
- CAS
6248-04-0- Standard SMILES
CC1OCC(C)(c2ccccc2)CO1- InChIKey
YMHKDLQYBBBVSW-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Overview
See also: m-Dioxane, 2,5-dimethyl-5-phenyl- (annotation moved to).
Names & identifiers
- Preferred name
- 1,3-Dioxane, 2,5-dimethyl-5-phenyl-
- IUPAC
- 2,5-dimethyl-5-phenyl-1,3-dioxane
- English name
- 2,5-Dimethyl-5-phenyl-1,3-dioxane
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
2,5-Dimethyl-5-phenyl-1,3-dioxane1,3-Dioxane, 2,5-dimethyl-5-phenyl-DTXSID1064160RefChem:72769DTXCID40433596248-04-0SCHEMBL28117469YMHKDLQYBBBVSW-UHFFFAOYSA-N
Database identifiers
- CAS
6248-04-0- PubChem CID
- 80394
- DTXSID
DTXSID1064160- Nikkaji
- J421.801I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 253 °C · 253 °C
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2,5-dimethyl-5-phenyl- (6248-04-0)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 2,5-dimethyl-5-phenyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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