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Molecule
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
Identifiers
CAS Registry Number
88-27-7
SMILES
CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI Key
VMZVBRIIHDRYGK-UHFFFAOYSA-N
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
Names and Synonyms
- 2,6-Di-Tert-Butyl-Α-(Dimethylamino)-P-Cresol Systematic Name
- Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)- Synonym
- p-Cresol, 2,6-di-tert-butyl-α-(dimethylamino)- Synonym
- 4-[(Dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)phenol Synonym
- 2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol Synonym
- 2,6-Di-tert-butyl-4-(N,N-dimethylaminomethyl)phenol Synonym
- N,N-Dimethyl(3,5-di-tert-butyl-4-hydroxybenzyl)amine Synonym
- (3,5-di-tert-Butyl-4-hydroxybenzyl)dimethylamine Synonym
- N,N-Dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamine Synonym
- 2,6-Di-tert-butyl-α-(dimethylamino)-p-cresol Synonym
- N-(3,5-di-tert-Butyl-4-hydroxybenzyl)-N,N-dimethylamine Synonym
- Ethyl 703 Synonym
- N-(3,5-Di-tert-butyl-4-hydroxybenzyl)dimethylamine Synonym
- N,N-Dimethyl-3,5-bis(1,1-dimethylethyl)-4-hydroxybenzylamine Synonym
- OMI Synonym
- Ethyl Antioxidant 703 Synonym
- Agidol 3 Synonym
- F 1 (antioxidant) Synonym
- F 1 Synonym
- 4-(N,N-Dimethylaminomethyl)-2,6-di-tert-butylphenol Synonym
- Ethanox 703 Synonym
- 4-[(Dimethylamino)methyl]-2,6-di-tert-butylphenol Synonym
- 2,6-Di-tert-butyl-α-(dimethylamino)-4-cresol Synonym
- NSC 27823 Synonym
- NSC 58410 Synonym
- N,N-Dimethyl-(3,5-di-tert-butyl-4-oxybenzyl)amine Synonym
- Antioxidant 703 Synonym
- Ionol 103 Synonym
- 2,6-Ditert-butyl-4-[(dimethylamino)methyl]phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.42 g/mol | CAS Common Chemistry |
| 263.42499999999995 g/mol | RDKit | |
| 263.425 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 |
| 23.24 Ų | chempirical lib | |
| LogP | 4.0488000000000035 | RDKit |
| 4.0488 | RDKit | |
| Molar Refractivity | 82.89780000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6471 | RDKit |
| 0.65 | chempirical lib | |
| Exact Mass | 263.224914548 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 263.42 g/mol. Edit any field — others recompute live.
