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Molecule
Hydroquinone
CAS: 123-31-9 · C6H6O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123-31-9
- Molecular Formula
- C6H6O2
- Molecular Mass
- 110.11 g/mol
Identifiers
CAS Registry Number
123-31-9
SMILES
Oc1ccc(O)cc1
InChI Key
QIGBRXMKCJKVMJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
Names and Synonyms
- Hydroquinone Synonym
- 1,4-Benzenediol Synonym
- Hydroquinone Synonym
- Arctuvin Synonym
- p-Benzenediol Synonym
- Benzohydroquinone Synonym
- Benzoquinol Synonym
- p-Dihydroxybenzene Synonym
- Eldoquin Synonym
- Hydroquinol Synonym
- Quinol Synonym
- Tecquinol Synonym
- Tenox HQ Synonym
- p-Dioxybenzene Synonym
- p-Hydroquinone Synonym
- 1,4-Dihydroxybenzene Synonym
- p-Hydroxyphenol Synonym
- HE 5 Synonym
- Diak 5 Synonym
- Eldopaque Synonym
- Phiaquin Synonym
- 4-Hydroxyphenol Synonym
- Dihydroquinone Synonym
- p-Quinol Synonym
- BQ(H) Synonym
- p-Dihydroquinone Synonym
- 1,4-Benzoquinol Synonym
- p-Phenylenediol Synonym
- Eldoquin Forte Synonym
- Solaquin Forte Synonym
- Black & White Bleaching Cream Synonym
- Eldopacque Synonym
- Aida Synonym
- Eldopaque Forte Synonym
- NSC 9247 Synonym
- Solution Q Synonym
- 1,4-p-Benzenediol Synonym
- 1,4-Phenylenediol Synonym
- 1,4-Benzenediol (hydroquinone) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.11 g/mol | CAS Common Chemistry |
| 110.11199999999998 g/mol | RDKit | |
| 110.112 g/mol | RDKit | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.332 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hydroquinone | CAS Common Chemistry |
| Boiling Point | 285-287 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H | CAS Common Chemistry |
| InChI Key | InChIKey=QIGBRXMKCJKVMJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-171 °C | CAS Common Chemistry |
| Name | Hydroquinone | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.0977999999999999 | RDKit |
| 1.0978 | RDKit | |
| Molar Refractivity | 29.771599999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 110.036779432 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
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MW = 110.11 g/mol; density = 1.330 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H6O2.
