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2,5-Di-Tert-Butylhydroquinone
CAS: 88-58-4 | C14H22O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
88-58-4
Molecular Formula:
C14H22O2
Molecular Mass:
222.33 g/mol
Names and Synonyms:
2,5-Di-Tert-Butylhydroquinone
1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-
Hydroquinone, 2,5-di-tert-butyl-
2,5-Bis(1,1-dimethylethyl)-1,4-benzenediol
Santovar O
Dibug
DTBHQ
2,5-Di-tert-butylquinol
Nocrac NS 7
Antage DBH
Naugard 451
DBH
1,4-Dihydroxy-2,5-di-tert-butylbenzene
2,5-Di-tert-butyl-1,4-hydroquinone
Nonflex Alba
2,5-Di-tert-butyl-1,4-benzohydroquinone
2,5-Di-tert-butylhydroquinone
2,5-Di-tert-butyl-1,4-benzenediol
NSC 11
NSC 9886
BHQ
2,5-Dihydroxy-1,4-di-tert-butylbenzene
DBHQ
Alba
2,5-Di-tert-butyl-1,4-dihydroxybenzene
3,6-Di-tert-butylhydroquinone
Antioxidant NS 7
Antioxidant Alba
Antioxidant DBH
2,5-Ditert-butylbenzene-1,4-diol
Identifiers:
SMILES:
CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O
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
Key Properties
Melting Point
213-214 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.33 g/mol | CAS Common Chemistry |
| 222.32799999999997 g/mol | RDKit | |
| 222.161979944 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 |
| Molar Refractivity | 67.17160000000004 | RDKit |
