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2,2′-Methylenebis[4-Methyl-6-Tert-Butylphenol]
CAS: 119-47-1 | C23H32O2
2D Structure
3D Structure
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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]
Common Name
Antioxidant 2246
Synonym
Advastab 405
Synonym
AO 2246
Synonym
CAO 5
Synonym
2,2′-Methylenebis[6-(1,1-dimethylethyl)-4-methylphenol]
Synonym
p-Cresol, 2,2′-methylenebis[6-tert-butyl-
Synonym
W 400
Synonym
2-tert-Butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Synonym
MDP-S
Synonym
Vulkanox BPH
Synonym
2,2′-Methylidenebis(6-tert-butyl-4-methylphenol)
Synonym
2,2- Methylene bis(4-methyl-6-tert-butyl-phenol)
Synonym
AO 235
Synonym
Akrochem AO 235
Synonym
2,2′-Methylenebis(6-tert-butyl-p-cresol)
Synonym
6,6-Methylenebis(2-tert-butyl-4-methylphenol)
Synonym
Antioxidant MBP
Synonym
Baynox Plus
Synonym
Vanox MBPC
Synonym
2,2′-Methylenebis(4-methyl-6-tert-butylphenol)
Synonym
Ionol 46
Synonym
Nonflex MBP
Synonym
Sumilizer MDP 9
Synonym
NSC 7781
Synonym
2,2′-Methylenebis[4-methyl-6-t-butylphenol]
Synonym
Lowinox 22M48
Synonym
Additin RC 7115
Synonym
A 02246
Synonym
Noclizer NS 6
Synonym
NS 6
Synonym
Nonflex MPP
Synonym
GERI-BP 002A
Synonym
Yoshinox 2246G
Synonym
Plastanox 2246
Synonym
3,3′-Di-tert-butyl-2,2′-dihydroxy-5,5′-dimethyldiphenylmethane
Synonym
MDP
Synonym
Bis(2-hydroxy-5-methyl-3-tert-butylphenyl)methane
Synonym
Yoshinox 2246R
Synonym
Naftonox 22M46
Synonym
Lowinox 22M46
Synonym
Irganox 2246
Synonym
6,6′-Methylenebis(2-tert-butyl-4-methylphenol)
Synonym
Product 2246
Synonym
Ongrostab 2246
Synonym
Santowhite PC
Synonym
Sumilizer MDP-S
Synonym
Antioxidant OMB
Synonym
Agidol 2
Synonym
MBP 5
Synonym
Vulkanox BKF
Synonym
Cyanox 2246
Synonym
Sumilizer MDP
Synonym
Antage W 400
Synonym
AO 1
Synonym
Nocrac NS 6
Synonym
Catolin 14
Synonym
Bis(5-methyl-3-tert-butyl-2-hydroxyphenyl)methane
Synonym
Chemanox 21
Synonym
CAO 14
Synonym
Anti Ox
Synonym
2,2′-Methylenebis[4-methyl-6-tert-butylphenol]
Synonym
AO 1 (antioxidant)
Synonym
Antioxidant NG 2246
Synonym
Antioxidant BKF
Synonym
Antioxidant 1
Synonym
NG 2246
Synonym
2,2′-Methylenebis(6-tert-butyl-4-methylphenol)
Synonym
BKF
Synonym
6,6′-Di-tert-butyl-4,4′-dimethyl-2,2′-methylenediphenol
Synonym
2,2′-Methylenebis[6-tert-butyl-p-cresol]
Synonym
Calco 2246
Synonym
Bis(6-hydroxy-3-methyl-5-tert-butylphenyl)methane
Synonym
Bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methane
Synonym
Bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane
Synonym
Bisalkofen BP
Synonym
Lederle 2246
Synonym
2,2′-Bis(4-methyl-6-tert-butylphenol)methane
Synonym
Phenol, 2,2′-methylenebis[6-(1,1-dimethylethyl)-4-methyl-
Synonym
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 5.900440000000007 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 105.89360000000006 | RDKit |