Tert-Butylhydroquinone
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CAS Number 1948-33-0
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Catalog Number io-40703
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Classification Acids
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Molecular Weight 166.2200
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SMILES CC(C)(C)C1=C(C=CC(=C1)O)O
| Size | QTY | Notes | |
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2-tert-butylhydroquinone is a member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. It has a role as a food antioxidant.
| 1 | tert-Butylhydroquinone |
| 2 | TBHQ |
| 3 | 2-tert-Butylhydroquinone |
| 4 | 2-tert-butylbenzene-1,4-diol |
| 5 | T-BUTYLHYDROQUINONE |
| Molecular Formula | C10H14O2 |
|---|---|
| Canonical SMILES | CC(C)(C)C1=C(C=CC(=C1)O)O |
| Isomeric SMILES | CC(C)(C)C1=C(C=CC(=C1)O)O |
| Molecular Weight | 166.2200 |
| InChIKey | BGNXCDMCOKJUMV-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3 |
| XLogP | 2.8000 |
| ExactMass | 166.0994 |
| MonoisotopicMass | 166.0994 |
| TPSA | 40.5000 |
| Complexity | 148.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 52225 |
| PatentFamilyCount | 19429 |
| LiteratureCount | 2565 |
