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2,2′-Methylenebis[4-Methyl-6-Tert-Butylphenol]
CAS: 119-47-1 | C23H32O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119-47-1
Molecular Formula:
C23H32O2
Molecular Weight:
340.5070000000001 g/mol
Names and Synonyms:
2,2′-Methylenebis[4-Methyl-6-Tert-Butylphenol]
Antioxidant 2246
Advastab 405
AO 2246
CAO 5
2,2′-Methylenebis[6-(1,1-dimethylethyl)-4-methylphenol]
p-Cresol, 2,2′-methylenebis[6-tert-butyl-
W 400
2-tert-Butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
MDP-S
Vulkanox BPH
2,2′-Methylidenebis(6-tert-butyl-4-methylphenol)
2,2- Methylene bis(4-methyl-6-tert-butyl-phenol)
AO 235
Akrochem AO 235
2,2′-Methylenebis(6-tert-butyl-p-cresol)
6,6-Methylenebis(2-tert-butyl-4-methylphenol)
Antioxidant MBP
Baynox Plus
Vanox MBPC
2,2′-Methylenebis(4-methyl-6-tert-butylphenol)
Ionol 46
Nonflex MBP
Sumilizer MDP 9
NSC 7781
2,2′-Methylenebis[4-methyl-6-t-butylphenol]
Lowinox 22M48
Additin RC 7115
A 02246
Noclizer NS 6
NS 6
Nonflex MPP
GERI-BP 002A
Yoshinox 2246G
Plastanox 2246
3,3′-Di-tert-butyl-2,2′-dihydroxy-5,5′-dimethyldiphenylmethane
MDP
Bis(2-hydroxy-5-methyl-3-tert-butylphenyl)methane
Yoshinox 2246R
Naftonox 22M46
Lowinox 22M46
Irganox 2246
6,6′-Methylenebis(2-tert-butyl-4-methylphenol)
Product 2246
Ongrostab 2246
Santowhite PC
Sumilizer MDP-S
Antioxidant OMB
Agidol 2
MBP 5
Vulkanox BKF
Cyanox 2246
Sumilizer MDP
Antage W 400
AO 1
Nocrac NS 6
Catolin 14
Bis(5-methyl-3-tert-butyl-2-hydroxyphenyl)methane
Chemanox 21
CAO 14
Anti Ox
2,2′-Methylenebis[4-methyl-6-tert-butylphenol]
AO 1 (antioxidant)
Antioxidant NG 2246
Antioxidant BKF
Antioxidant 1
NG 2246
2,2′-Methylenebis(6-tert-butyl-4-methylphenol)
BKF
6,6′-Di-tert-butyl-4,4′-dimethyl-2,2′-methylenediphenol
2,2′-Methylenebis[6-tert-butyl-p-cresol]
Calco 2246
Bis(6-hydroxy-3-methyl-5-tert-butylphenyl)methane
Bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methane
Bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane
Bisalkofen BP
Lederle 2246
2,2′-Bis(4-methyl-6-tert-butylphenol)methane
Phenol, 2,2′-methylenebis[6-(1,1-dimethylethyl)-4-methyl-
Identifiers:
SMILES:
Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChI:
InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 340.5070000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 340.240230264 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.900440000000007 | RDKit |
| molecular_mass | 340.51 g/mol | Legacy Database |
| cas-canonical-smile | OC=1C(=CC(=CC1C(C)(C)C)C)CC2=CC(=CC(=C2O)C(C)(C)C)C None | Legacy Database |
| cas-density | 107-110 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KGRVJHAUYBGFFP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 118-128 °C None | Legacy Database |
| cas-name | 2,2′-Methylenebis[4-methyl-6-tert-butylphenol] None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 105.89360000000006 | RDKit |
