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4,4′-Methylenebis[2,6-Di-Tert-Butylphenol]
CAS: 118-82-1 | C29H44O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
118-82-1
Molecular Formula:
C29H44O2
Molecular Mass:
424.67 g/mol
Names and Synonyms:
4,4′-Methylenebis[2,6-Di-Tert-Butylphenol]
Phenol, 4,4′-methylenebis[2,6-bis(1,1-dimethylethyl)-
Phenol, 4,4′-methylenebis[2,6-di-tert-butyl-
4,4′-Methylenebis[2,6-bis(1,1-dimethylethyl)phenol
Ionox 220
Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane
Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane
Ionox 220 Antioxidant
3,3′,5,5′-Tetra-tert-butyl-4,4′-dihydroxydiphenylmethane
Ethyl 702
Binox M
MB 1 (antioxidant)
4,4′-Methylenebis[2,6-di-tert-butylphenol]
Antioxidant E 702
Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane
E 702
MB 1
LZ-MB 1
Ethyl 728
Antioxidant 702
Antioxidant 728
Ethanox 702
Ethyl Antioxidant 702
Ethyl Antioxidant 728
Vanlube DTB
H 301/92
Hitec 4702
NSC 30551
Ionol 220
Antioxidant 4426
Agidol 23
Ethanox 4702
Antioxidant T 511
AO 4426
4,4′-Methylene-bis-2,6-tert-butylphenol
T 511
2,6-Di-tert-butyl-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phenol
2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
Identifiers:
SMILES:
CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChI:
InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
Key Properties
Melting Point
154-155 °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 | 424.67 g/mol | CAS Common Chemistry |
| 424.6690000000002 g/mol | RDKit | |
| 424.334130648 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(=CC1C(C)(C)C)CC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MDWVSAYEQPLWMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154-155 °C | CAS Common Chemistry |
| Name | 4,4′-Methylenebis[2,6-di-tert-butylphenol] | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 7.878600000000009 | RDKit |
| Molar Refractivity | 133.81960000000004 | RDKit |
