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Molecule
2-Tert-Butyl-6-(3-Tert-Butyl-2-Hydroxy-5-Methylbenzyl)-4-Methylphenyl Acrylate
CAS: 61167-58-6 · C26H34O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 61167-58-6
- Molecular Formula
- C26H34O3
- Molecular Mass
- 394.56 g/mol
Identifiers
CAS Registry Number
61167-58-6
SMILES
C=CC(=O)Oc1c(Cc2cc(C)cc(C(C)(C)C)c2O)cc(C)cc1C(C)(C)C
InChI Key
IORUEKDKNHHQAL-UHFFFAOYSA-N
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
Names and Synonyms
- 2-Tert-Butyl-6-(3-Tert-Butyl-2-Hydroxy-5-Methylbenzyl)-4-Methylphenyl Acrylate Systematic Name
- 2-Propenoic acid, 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl ester Synonym
- 2-(2-Hydroxy-3-tert-butyl-5-methylbenzyl)-4-methyl-6-tert-butylphenyl acrylate Synonym
- Sumilizer GM Synonym
- Irganox 3052 Synonym
- 2-tert-Butyl-6-(3-tert-butyl-5-methyl-2-hydroxybenzyl)-4-methylphenyl acrylate Synonym
- 2,2′-Methylenebis(6-tert-butyl-4-methylphenol) monoacrylate Synonym
- 2,2′-Methylenebis(4-methyl-6-tert-butylphenol) monoacrylate Synonym
- 2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl acrylate Synonym
- Irganox 3052FF Synonym
- Bis(2-hydroxy-3-tert-butyl-5-methyl)phenylmethane monoacrylate Synonym
- 2-tert-Butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenylacrylate Synonym
- Antioxidant 3052 Synonym
- AO 3052 Synonym
- 2-(1,1-Dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl acrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 394.56 g/mol | CAS Common Chemistry |
| 394.5550000000001 g/mol | RDKit | |
| 394.555 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 |
| 6.2862 | RDKit | |
| 6.23 | chempirical lib | |
| Molar Refractivity | 120.06080000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4231 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 394.25079494799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 394.56 g/mol. Edit any field — others recompute live.
