Basic information
- CAS
4237-25-6- Standard SMILES
CCc1ccc(C(C)(C)C)c(O)c1- InChIKey
NIKKCIWANYCKDL-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Phenol, 2-(1,1-dimethylethyl)-5-ethyl-
- IUPAC
- 2-tert-butyl-5-ethylphenol
- English name
- 2-tert-butyl-5-ethylphenol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
4237-25-6Phenol, 2-(1,1-dimethylethyl)-5-ethyl-EINECS 224-195-9DTXSID9063374RefChem:860778DTXCID70401002-tert-Butyl-5-ethylphenol2-tert-butyl-5-ethyl-phenol3-ethyl-6-t-butylphenol3-Ethyl-6-tert-butylphenolSCHEMBL2789181MB23800
Show more names
2-(1,1-Dimethylethyl)-5-ethylphenol
NS00031167F863097
Database identifiers
- CAS
4237-25-6- PubChem CID
- 77916
- DTXSID
DTXSID9063374- EC Number
- 224-195-9
- Nikkaji
- J205.660G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 135 · 135-138 °C(Press: 20 Torr)
- Density
- 0.951 · 0.951±0.06 g/cm3(Predicted)
- pka
- 11.44 · 11.44±0.10(Predicted)
- EPA Substance Registry System
- 2 · Phenol, 2-(1,1-dimethylethyl)-5-ethyl- (4237-25-6)
- 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 InformationPhenol, 2-(1,1-dimethylethyl)-5-ethyl-: ACTIVE
Suppliers1 total
海蔚化学86-21-51086038 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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