4,4,6-Trimethyl-2-phenyl-1,3-dioxane
Basic information
- CAS
2568-06-1- Standard SMILES
CC1CC(C)(C)OC(c2ccccc2)O1- InChIKey
OHAGICGDFQGNHT-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 4,4,6-Trimethyl-2-phenyl-1,3-dioxane
- IUPAC
- 4,4,6-trimethyl-2-phenyl-1,3-dioxane
- English name
- 4,4,6-trimethyl-2-phenyl-1,3-dioxane
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
4,4,6-Trimethyl-2-phenyl-1,3-dioxane2568-06-1EINECS 219-905-9NSC 25466AI3-057221,3-Dioxane, 4,4,6-trimethyl-2-phenyl-RefChem:96324219-905-9NSC25466SCHEMBL23302265DTXSID10948560OHAGICGDFQGNHT-UHFFFAOYSA-N
Show more names
1,3-Dioxane,4,4,6-trimethyl-2-phenyl-(9CI)
HMS1617G17CCG-24826NSC-25466STK000359AKOS001683855AKOS0220095031,3-Dioxane,4,4,6-trimethyl-2-phenyl-4,4,6-Trimethyl-2-phenyl-1,3-dioxanato
Database identifiers
- CAS
2568-06-1- PubChem CID
- 95632
- DTXSID
DTXSID10948560- EC Number
- 219-905-9
- Nikkaji
- J38.318J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 125 °C · 125 °C(Press: 10 Torr)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. fresh herbal reseda green rose
- Odor Type
- herbal
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, 4,4,6-trimethyl-2-phenyl-
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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