Basic information
- CAS
719-03-9- Standard SMILES
CC(C)(C)CC(C)(C)c1cc(O)ccc1O- InChIKey
RDMIJQCFPQDYQN-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- tert-Octylhydroquinone
- IUPAC
- 2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
- English name
- 2-(1,1,3,3-Tetramethylbutyl)hydroquinone
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32
Names & synonyms
1,4-Benzenediol, 2-(1,1,3,3-tetramethylbutyl)-719-03-9tert-octylhydroquinoneA6WBI8K7W0AI3-17882EINECS 211-945-5DTXSID8061052NSC 2383NSC-2383HYDROQUINONE, (1,1,3,3-TETRAMETHYLBUTYL)-RefChem:896608DTXCID6047157
Show more names
2-(1,1,3,3-Tetramethylbutyl)-1,4-benzenediol
2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol2-(1,1,3,3-Tetramethylbutyl)hydroquinoneCl-6007 peak 1UNII-A6WBI8K7W0SCHEMBL3441328SCHEMBL294575501,1,3,3-tetramethylbutylhydroquinoneAKOS024324081
Database identifiers
- CAS
719-03-9- PubChem CID
- 69749
- DTXSID
DTXSID8061052- UNII
- A6WBI8K7W0
- EC Number
- 211-945-5
- Nikkaji
- J193.091E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 142.5 · 142.5-143 °C
- Boiling point
- 207 · 207-210 °C(Press: 6 Torr)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
- pka
- 10.79 · 10.79±0.18(Predicted)
- FDA UNII
- 6 WBI8K7W0 · A6WBI8K7W0
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, 2-(1,1,3,3-tetramethylbutyl)- (719-03-9)
- 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 Information1,4-Benzenediol, 2-(1,1,3,3-tetramethylbutyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers4 total
CHEMICAL LAND21[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
1 records
Compound notes
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