Basic information
- CAS
69921-20-6- Standard SMILES
CC1(C)OCC(C)(c2ccccc2)CO1- InChIKey
GAGMMTUVMITPBL-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 1,3-Dioxane, 2,2,5-trimethyl-5-phenyl-
- IUPAC
- 2,2,5-trimethyl-5-phenyl-1,3-dioxane
- English name
- 2,2,5-trimethyl-5-phenyl-1,3-dioxane
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28082
Names & synonyms
2,2,5-Trimethyl-5-phenyl-1,3-dioxane1,3-Dioxane, 2,2,5-trimethyl-5-phenyl-EINECS 274-216-0E8FG9T6RP5DTXSID00720172,2-Dimethyl-5-methyl-5-phenyl-1,3-dioxaneRefChem:72766DTXCID9046601274-216-069921-20-6UNII-E8FG9T6RP5SCHEMBL11462510
Show more names
GAGMMTUVMITPBL-UHFFFAOYSA-NNS00036982
Database identifiers
- CAS
69921-20-6- PubChem CID
- 112183
- DTXSID
DTXSID0072017- UNII
- E8FG9T6RP5
- EC Number
- 274-216-0
- Nikkaji
- J318.090E
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
- FDA UNII
- 8 FG9T6RP5 · E8FG9T6RP5
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2,2,5-trimethyl-5-phenyl- (69921-20-6)
- 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, 2,2,5-trimethyl-5-phenyl-: INACTIVE
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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