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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.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Physical Properties 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 Legacy Database
cas-density 107-110 g/cm3 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 Legacy Database
cas-inchi-key InChIKey=KGRVJHAUYBGFFP-UHFFFAOYSA-N Legacy Database
cas-melting-point 118-128 °C Legacy Database
cas-name 2,2′-Methylenebis[4-methyl-6-tert-butylphenol] Legacy Database
LogP 5.900440000000007 RDKit
Molecular Molecular Weight 340.5070000000001 g/mol RDKit
Exact Exact Molecular Weight 340.240230264 g/mol RDKit
Heavy Heavy Atom Count 25 count RDKit
Hydrogen Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit
Rotatable Rotatable Bonds 2 count RDKit
Aromatic Aromatic Ring Count 2 count RDKit
Topological Topological Polar Surface Area 40.46 Ų RDKit
Molar Molar Refractivity 105.89360000000006 RDKit

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