Basic information
- CAS
3354-66-3- Standard SMILES
CC(C)(C)OCCc1ccccc1- InChIKey
UPKHTMNSMRJUHN-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Benzene, (2-(1,1-dimethylethoxy)ethyl)-
- IUPAC
- 2-[(2-methylpropan-2-yl)oxy]ethylbenzene
- English name
- [2-(1,1-Dimethylethoxy)ethyl]benzene
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
Benzene, (2-(1,1-dimethylethoxy)ethyl)-Benzene, [2-(1,1-dimethylethoxy)ethyl]-RefChem:5620982-Phenylethyl tert-butyl ether3354-66-3(2-tert-butoxyethyl)benzenephenyl ethyl t-butyl etherSCHEMBL2590168DTXSID8062991ETHER, PHENETHYL T-BUTYLSCHEMBL20739984UPKHTMNSMRJUHN-UHFFFAOYSA-N
Show more names
[2-(1,1-Dimethylethoxy)ethyl]benzene
Database identifiers
- CAS
3354-66-3- PubChem CID
- 76884
- DTXSID
DTXSID8062991- Nikkaji
- J421.675J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Phenylethyl tert-butyl ether (3354-66-3)
- 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 InformationBenzene, [2-(1,1-dimethylethoxy)ethyl]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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