Back to Search
Molecule
2,5-Di-Tert-Butylhydroquinone
CAS: 88-58-4 · C14H22O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 88-58-4
- Molecular Formula
- C14H22O2
- Molecular Mass
- 222.33 g/mol
Identifiers
CAS Registry Number
88-58-4
SMILES
CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O
InChI Key
JZODKRWQWUWGCD-UHFFFAOYSA-N
InChI
InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
Names and Synonyms
- 2,5-Di-Tert-Butylhydroquinone Systematic Name
- 1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)- Synonym
- Hydroquinone, 2,5-di-tert-butyl- Synonym
- 2,5-Bis(1,1-dimethylethyl)-1,4-benzenediol Synonym
- Santovar O Synonym
- Dibug Synonym
- DTBHQ Synonym
- 2,5-Di-tert-butylquinol Synonym
- Nocrac NS 7 Synonym
- Antage DBH Synonym
- Naugard 451 Synonym
- DBH Synonym
- 1,4-Dihydroxy-2,5-di-tert-butylbenzene Synonym
- 2,5-Di-tert-butyl-1,4-hydroquinone Synonym
- Nonflex Alba Synonym
- 2,5-Di-tert-butyl-1,4-benzohydroquinone Synonym
- 2,5-Di-tert-butylhydroquinone Synonym
- 2,5-Di-tert-butyl-1,4-benzenediol Synonym
- NSC 11 Synonym
- NSC 9886 Synonym
- BHQ Synonym
- 2,5-Dihydroxy-1,4-di-tert-butylbenzene Synonym
- DBHQ Synonym
- Alba Synonym
- 2,5-Di-tert-butyl-1,4-dihydroxybenzene Synonym
- 3,6-Di-tert-butylhydroquinone Synonym
- Antioxidant NS 7 Synonym
- Antioxidant Alba Synonym
- Antioxidant DBH Synonym
- 2,5-Ditert-butylbenzene-1,4-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.33 g/mol | CAS Common Chemistry |
| 222.32799999999997 g/mol | RDKit | |
| 222.328 g/mol | RDKit | |
| Canonical SMILES | OC=1C=C(C(O)=CC1C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JZODKRWQWUWGCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 213-214 °C | CAS Common Chemistry |
| Name | 2,5-Di-tert-butylhydroquinone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.692800000000003 | RDKit |
| 3.6928 | RDKit | |
| 3.81 | chempirical lib | |
| Molar Refractivity | 67.17160000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 222.161979944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 222.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H22O2.
