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Molecule
2,6-Di-Tert-Butyl-4-Ethylphenol
CAS: 4130-42-1 · C16H26O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4130-42-1
- Molecular Formula
- C16H26O
- Molecular Mass
- 234.38 g/mol
Identifiers
CAS Registry Number
4130-42-1
SMILES
CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI Key
BVUXDWXKPROUDO-UHFFFAOYSA-N
InChI
InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3
Names and Synonyms
- 2,6-Di-Tert-Butyl-4-Ethylphenol Systematic Name
- Yoshinox 250 Synonym
- Ionol 2 Synonym
- Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- Synonym
- Phenol, 2,6-di-tert-butyl-4-ethyl- Synonym
- 2,6-Bis(1,1-dimethylethyl)-4-ethylphenol Synonym
- 2,6-Di-tert-butyl-4-ethylphenol Synonym
- 4-Ethyl-2,6-di-tert-butylphenol Synonym
- Nocrac M 17 Synonym
- Sandant 425 Synonym
- Noclizer M 17 Synonym
- NSC 14453 Synonym
- BHEB Synonym
- DBEP Synonym
- 2,6-Di-tert-butyl-p-ethylphenol Synonym
- 2,6-Ditert-butyl-4-ethylphenol Synonym
- Antioxidant 698 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.38 g/mol | CAS Common Chemistry |
| 234.38299999999998 g/mol | RDKit | |
| 234.383 g/mol | RDKit | |
| Boiling Point | 272 °C | CAS Common Chemistry |
| Canonical SMILES | OC=1C(=CC(=CC1C(C)(C)C)CC)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BVUXDWXKPROUDO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 44 °C | CAS Common Chemistry |
| Name | 2,6-Di-tert-butyl-4-ethylphenol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.549600000000004 | RDKit |
| 4.5496 | RDKit | |
| 4.88 | chempirical lib | |
| Molar Refractivity | 74.88480000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 234.198365452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 234.38 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H26O.
