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2-Tert-Butyl-6-(3-Tert-Butyl-2-Hydroxy-5-Methylbenzyl)-4-Methylphenyl Acrylate
CAS: 61167-58-6 | C26H34O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61167-58-6
Molecular Formula:
C26H34O3
Molecular Mass:
394.56 g/mol
Names and Synonyms:
2-Tert-Butyl-6-(3-Tert-Butyl-2-Hydroxy-5-Methylbenzyl)-4-Methylphenyl Acrylate
2-Propenoic acid, 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl ester
2-(2-Hydroxy-3-tert-butyl-5-methylbenzyl)-4-methyl-6-tert-butylphenyl acrylate
Sumilizer GM
Irganox 3052
2-tert-Butyl-6-(3-tert-butyl-5-methyl-2-hydroxybenzyl)-4-methylphenyl acrylate
2,2′-Methylenebis(6-tert-butyl-4-methylphenol) monoacrylate
2,2′-Methylenebis(4-methyl-6-tert-butylphenol) monoacrylate
2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl acrylate
Irganox 3052FF
Bis(2-hydroxy-3-tert-butyl-5-methyl)phenylmethane monoacrylate
2-tert-Butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenylacrylate
Antioxidant 3052
AO 3052
2-(1,1-Dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl acrylate
Identifiers:
SMILES:
C=CC(=O)Oc1c(Cc2cc(C)cc(C(C)(C)C)c2O)cc(C)cc1C(C)(C)C
InChI:
InChI=1S/C26H34O3/c1-10-22(27)29-24-19(12-17(3)14-21(24)26(7,8)9)15-18-11-16(2)13-20(23(18)28)25(4,5)6/h10-14,28H,1,15H2,2-9H3
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 | 394.56 g/mol | CAS Common Chemistry |
| 394.5550000000001 g/mol | RDKit | |
| 394.25079494799996 g/mol | RDKit | |
| Canonical SMILES | O=C(OC=1C(=CC(=CC1C(C)(C)C)C)CC2=CC(=CC(=C2O)C(C)(C)C)C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C26H34O3/c1-10-22(27)29-24-19(12-17(3)14-21(24)26(7,8)9)15-18-11-16(2)13-20(23(18)28)25(4,5)6/h10-14,28H,1,15H2,2-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IORUEKDKNHHQAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 6.286240000000007 | RDKit |
| Molar Refractivity | 120.06080000000006 | RDKit |
