4-Methyl-2-phenyl-1,3-dioxane
Basic information
- CAS
27098-20-0- Standard SMILES
CC1CCOC(c2ccccc2)O1- InChIKey
NJDSRMVYAFOBIZ-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 4-Methyl-2-phenyl-1,3-dioxane
- IUPAC
- 4-methyl-2-phenyl-1,3-dioxane
- English name
- 4-methyl-2-phenyl-1,3-dioxane
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
4-Methyl-2-phenyl-1,3-dioxane1,3-Dioxane, 4-methyl-2-phenyl-NSC 6578EINECS 212-264-6NSC 46267AI3-22426DTXSID50883567RefChem:99746DTXCID901023086212-264-6NJDSRMVYAFOBIZ-UHFFFAOYSA-N774-44-7
Show more names
2-Phenyl-4-methyl-1,3-dioxane4-Methyl-2-phenyl-m-dioxanem-Dioxane, 4-methyl-2-phenyl-1,3-Dioxane,4-methyl-2-phenyl-1, 4-methyl-2-phenyl-SCHEMBL751412SCHEMBL751413orb1986805
Database identifiers
- CAS
27098-20-0、774-44-7- PubChem CID
- 95393
- DTXSID
DTXSID50883567- EC Number
- 212-264-6
- Nikkaji
- J193.159H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 4-methyl-2-phenyl- (774-44-7)
- 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-methyl-2-phenyl-: INACTIVE
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Related reactions
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Compound notes
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