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2,6-Di-Tert-Butyl-Α-(Dimethylamino)-P-Cresol
CAS: 88-27-7 | C17H29NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
88-27-7
Molecular Formula:
C17H29NO
Molecular Mass:
263.42 g/mol
Names and Synonyms:
2,6-Di-Tert-Butyl-Α-(Dimethylamino)-P-Cresol
Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
p-Cresol, 2,6-di-tert-butyl-α-(dimethylamino)-
4-[(Dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)phenol
2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol
2,6-Di-tert-butyl-4-(N,N-dimethylaminomethyl)phenol
N,N-Dimethyl(3,5-di-tert-butyl-4-hydroxybenzyl)amine
(3,5-di-tert-Butyl-4-hydroxybenzyl)dimethylamine
N,N-Dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamine
2,6-Di-tert-butyl-α-(dimethylamino)-p-cresol
N-(3,5-di-tert-Butyl-4-hydroxybenzyl)-N,N-dimethylamine
Ethyl 703
N-(3,5-Di-tert-butyl-4-hydroxybenzyl)dimethylamine
N,N-Dimethyl-3,5-bis(1,1-dimethylethyl)-4-hydroxybenzylamine
OMI
Ethyl Antioxidant 703
Agidol 3
F 1 (antioxidant)
F 1
4-(N,N-Dimethylaminomethyl)-2,6-di-tert-butylphenol
Ethanox 703
4-[(Dimethylamino)methyl]-2,6-di-tert-butylphenol
2,6-Di-tert-butyl-α-(dimethylamino)-4-cresol
NSC 27823
NSC 58410
N,N-Dimethyl-(3,5-di-tert-butyl-4-oxybenzyl)amine
Antioxidant 703
Ionol 103
2,6-Ditert-butyl-4-[(dimethylamino)methyl]phenol
Identifiers:
SMILES:
CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI:
InChI=1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3
Key Properties
Melting Point
92-93.5 °C @ Solvent: Ligroine
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 | 263.42 g/mol | CAS Common Chemistry |
| 263.42499999999995 g/mol | RDKit | |
| 263.224914548 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(=CC1C(C)(C)C)CN(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VMZVBRIIHDRYGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92-93.5 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | 2,6-Di-tert-butyl-α-(dimethylamino)-p-cresol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 4.0488000000000035 | RDKit |
| Molar Refractivity | 82.89780000000006 | RDKit |
