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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
Names and Synonyms:
2,6-Di-Tert-Butyl-4-Ethylphenol
Yoshinox 250
Ionol 2
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-
Phenol, 2,6-di-tert-butyl-4-ethyl-
2,6-Bis(1,1-dimethylethyl)-4-ethylphenol
2,6-Di-tert-butyl-4-ethylphenol
4-Ethyl-2,6-di-tert-butylphenol
Nocrac M 17
Sandant 425
Noclizer M 17
NSC 14453
BHEB
DBEP
2,6-Di-tert-butyl-p-ethylphenol
2,6-Ditert-butyl-4-ethylphenol
Antioxidant 698
Identifiers:
SMILES:
CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
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
Key Properties
Boiling Point
272 °C
CAS Common Chemistry
Melting Point
44 °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 | 234.38 g/mol | CAS Common Chemistry |
| 234.38299999999998 g/mol | RDKit | |
| 234.198365452 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 |
| Molar Refractivity | 74.88480000000006 | RDKit |
