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Molecule
3,5-Di-Tert-Butyl-4-Hydroxybenzyl Alcohol
CAS: 88-26-6 · C15H24O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 88-26-6
- Molecular Formula
- C15H24O2
- Molecular Mass
- 236.35 g/mol
Identifiers
CAS Registry Number
88-26-6
SMILES
CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O
InChI Key
HNURKXXMYARGAY-UHFFFAOYSA-N
InChI
InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
Names and Synonyms
- 3,5-Di-Tert-Butyl-4-Hydroxybenzyl Alcohol Systematic Name
- Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- Synonym
- Benzyl alcohol, 3,5-di-tert-butyl-4-hydroxy- Synonym
- 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol Synonym
- 2,6-Di-tert-butyl-4-hydroxymethylphenol Synonym
- 4-Hydroxymethyl-2,6-di-tert-butylphenol Synonym
- Ionox 100 Synonym
- 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol Synonym
- 4-Hydroxy-3,5-di-tert-butylbenzyl alcohol Synonym
- AO 754 Synonym
- Ethanox 754 Synonym
- 3,5-Di-tert-butyl-4-hydroxyphenylmethanol Synonym
- NSC 159133 Synonym
- 3,5-Di-t-butyl-4-hydroxy-benzyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.35 g/mol | CAS Common Chemistry |
| 236.35499999999996 g/mol | RDKit | |
| 236.355 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(=CC1C(C)(C)C)CO)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HNURKXXMYARGAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137.9 °C | CAS Common Chemistry |
| Name | 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.479500000000003 | RDKit |
| 3.4795 | RDKit | |
| Molar Refractivity | 71.42960000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 236.177630008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 236.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H24O2.
