Basic information
- CAS
72727-59-4- Standard SMILES
COC(OC)C(C)(C)Cc1ccccc1- InChIKey
ONRRGZQJJNDUPR-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- (3,3-Dimethoxy-2,2-dimethylpropyl)benzene
- IUPAC
- (3,3-dimethoxy-2,2-dimethylpropyl)benzene
- English name
- (3,3-dimethoxy-2,2-dimethylpropyl)benzene
- Molecular formula
- C13H20O2
- Molecular weight
- 208.2967
Names & synonyms
(3,3-Dimethoxy-2,2-dimethylpropyl)benzeneEINECS 276-791-31,1-Dimethoxy-2,2-dimethyl-3-phenylpropaneDTXSID3072585Benzene, (3,3-dimethoxy-2,2-dimethylpropyl)-RefChem:69068DTXCID0047329276-791-372727-59-4SCHEMBL8463105ONRRGZQJJNDUPR-UHFFFAOYSA-NNS00037398
Database identifiers
- CAS
72727-59-4- PubChem CID
- 175123
- DTXSID
DTXSID3072585- EC Number
- 276-791-3
- Nikkaji
- J296.358B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- EPA Substance Registry System
- (3,3-Dimethoxy-2,2-dimethylpropyl)benzene (72727-59-4)
- 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 Information
Chemical: Benzene, (3,3-dimethoxy-2,2-dimethylpropyl)-
Benzene, (3,3-dimethoxy-2,2-dimethylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
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 InformationBenzene, (3,3-dimethoxy-2,2-dimethylpropyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…