2-Phenethyldioxolane
Basic information
- CAS
4360-60-5- Standard SMILES
c1ccc(CCC2OCCO2)cc1- InChIKey
LEBHHJDUAJKLKG-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 2-Phenethyldioxolane
- IUPAC
- 2-(2-phenylethyl)-1,3-dioxolane
- English name
- 2-phenethyl-1,3-dioxolane
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2-Phenethyl-1,3-dioxolane2-(2-phenylethyl)-1,3-dioxolane4360-60-51,3-Dioxolane, 2-(2-phenylethyl)-2-Phenethyldioxolane1,3-Dioxolane, 2-phenethyl-Hydrocinnamaldehyde, cyclic ethylene acetalE894DK6G3L3-Phenylpropionaldehyde, ethylene acetalBenzenepropanal, cyclic 1,2-ethanediyl acetalEINECS 224-442-0NSC 22573
Show more names
3-phenyl propionaldehyde ethylene acetal
NSC-225733-PHENYLPROPANAL ETHYLENE ACETALAI3-30675DTXSID60634302-(2-PHENYLETHYL)DIOXOLANERefChem:477923DTXCID3040275224-442-0
Database identifiers
- CAS
4360-60-5- PubChem CID
- 64811
- DTXSID
DTXSID6063430- UNII
- E894DK6G3L
- EC Number
- 224-442-0
- Nikkaji
- J205.741G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- LogP
- 2.096 · 2.096 (est)
- FDA UNII
- 894 DK6G3L · E894DK6G3L
- EPA Substance Registry System
- 1 · 1,3-Dioxolane, 2-(2-phenylethyl)- (4360-60-5)
- 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.
Hazard information
Regulatory InformationChemical: 1,3-Dioxolane, 2-(2-phenylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxolane, 2-(2-phenylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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