p-tert-Butylphenetole
Basic information
- CAS
17269-94-2- Standard SMILES
CCOc1ccc(C(C)(C)C)cc1- InChIKey
RMSGBIDKBWPHMJ-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- p-tert-Butylphenetole
- IUPAC
- 1-tert-butyl-4-ethoxybenzene
- English name
- p-tert-butylphenetole
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
p-tert-Butylphenetole17269-94-21-(1,1-Dimethylethyl)-4-ethoxybenzeneBenzene, 1-(1,1-dimethylethyl)-4-ethoxy-EINECS 241-305-0DTXSID30169371RefChem:858192DTXCID9091862241-305-01-tert-Butyl-4-ethoxybenzenePhenetole, p-tert-butyl-1-(TERT-BUTYL)-4-ETHOXYBENZENE
Show more names
4-(TERT-BUTYL)-PHENETOLEp-tert-butylphenetole (95%)4-tert-Butyl-1-ethoxybenzene1-Ethoxy-4-tert-butylbenzene
1-tert-butyl-4-ethoxy-benzeneECK6H33VTREthyl 4-terbutylphenyl etherSCHEMBL635142SCHEMBL7996364-Tert-Butylphenyl ethyl etherSCHEMBL2783422SCHEMBL3141888
Database identifiers
- CAS
17269-94-2- PubChem CID
- 28439
- DTXSID
DTXSID30169371- UNII
- ECK6H33VTR
- EC Number
- 241-305-0
- Nikkaji
- J102.608I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 113 °C · 113 °C(Press: 15 Torr)
- Density
- 0.9273 g/cm3 · 0.9273 g/cm3
- FDA UNII
- 6 H33VTR · ECK6H33VTR
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzene, 1-(1,1-dimethylethyl)-4-ethoxy-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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