Back to Search
2,2′-Methylenebis(4-Methyl-6-Cyclohexylphenol)
CAS: 4066-02-8 | C27H36O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4066-02-8
Molecular Formula:
C27H36O2
Molecular Mass:
392.58 g/mol
Names and Synonyms:
2,2′-Methylenebis(4-Methyl-6-Cyclohexylphenol)
Phenol, 2,2′-methylenebis[6-cyclohexyl-4-methyl-
p-Cresol, 2,2′-methylenebis[6-cyclohexyl-
2,2′-Methylenebis[6-cyclohexyl-4-methylphenol]
2,2′-Methylenebis(4-methyl-6-cyclohexylphenol)
Bis(3-cyclohexyl-5-methyl-2-hydroxyphenyl)methane
Antioxidant ZKF
ZKF
Bis(3-cyclohexyl-2-hydroxy-5-methylphenyl)methane
Vulkanox ZKF
2,2′-Methylenebis[6-cyclohexyl-p-cresol]
Bis(2-hydroxy-3-cyclohexyl-5-methylphenyl)methane
2-Cyclohexyl-6-[(3-cyclohexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Identifiers:
SMILES:
Cc1cc(Cc2cc(C)cc(C3CCCCC3)c2O)c(O)c(C2CCCCC2)c1
InChI:
InChI=1S/C27H36O2/c1-18-13-22(26(28)24(15-18)20-9-5-3-6-10-20)17-23-14-19(2)16-25(27(23)29)21-11-7-4-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3
Key Properties
Melting Point
134 °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 | 392.58 g/mol | CAS Common Chemistry |
| 392.5830000000002 g/mol | RDKit | |
| 392.271530392 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(=CC1C2CCCCC2)C)CC3=CC(=CC(=C3O)C4CCCCC4)C | CAS Common Chemistry |
| InChI | InChI=1S/C27H36O2/c1-18-13-22(26(28)24(15-18)20-9-5-3-6-10-20)17-23-14-19(2)16-25(27(23)29)21-11-7-4-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AKNMPWVTPUHKCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134 °C | CAS Common Chemistry |
| Name | 2,2′-Methylenebis(4-methyl-6-cyclohexylphenol) | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 7.400840000000007 | RDKit |
| Molar Refractivity | 120.14560000000006 | RDKit |
