Basic information
- CAS
68555-33-9- Standard SMILES
CC1CC(C)(C)OC(c2ccc(C(C)C)cc2)O1- InChIKey
PDVNVZULPFBIIB-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- 1,3-Dioxane, 4,4,6-trimethyl-2-(4-(1-methylethyl)phenyl)-
- IUPAC
- 4,4,6-trimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxane
- English name
- 4,4,6-trimethyl-2-[4-(1-methylethyl)phenyl]-1,3-dioxane
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36056
Names & synonyms
2-(4-Isopropylphenyl)-4,4,6-trimethyl-1,3-dioxane68555-33-9EINECS 271-424-31,3-Dioxane, 4,4,6-trimethyl-2-[4-(1-methylethyl)phenyl]-DTXSID40887458NSC 46283NSC 503244,4,6-Trimethyl-2-[4-(1-methylethyl)phenyl]-1,3-dioxane1,3-Dioxane, 4,4,6-trimethyl-2-(4-(1-methylethyl)phenyl)-4,4,6-Trimethyl-2-(4-(1-methylethyl)phenyl)-1,3-dioxaneRefChem:414752DTXCID001026752
Show more names
271-424-3MLS0026670392-(4-Isopropylphenyl)-4,6-trimethyl-1,3-dioxane1, 4,4,6-trimethyl-2-[4-(1-methylethyl)phenyl]-NSC50324CHEMBL18706504,4,6-trimethyl-2-[4-(propan-2-yl)phenyl]-1,3-dioxanePDVNVZULPFBIIB-UHFFFAOYSA-N
Database identifiers
- CAS
68555-33-9- PubChem CID
- 97844
- DTXSID
DTXSID40887458- ChEMBL
CHEMBL1870650- EC Number
- 271-424-3
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
- 18
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 4,4,6-trimethyl-2-[4-(1-methylethyl)phenyl]- (68555-33-9)
- 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, 4,4,6-trimethyl-2-[4-(1-methylethyl)phenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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