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Molecule
2,2′-Methylenebis(4-Methyl-6-Cyclohexylphenol)
CAS: 4066-02-8 · C27H36O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4066-02-8
- Molecular Formula
- C27H36O2
- Molecular Mass
- 392.58 g/mol
Identifiers
CAS Registry Number
4066-02-8
SMILES
Cc1cc(Cc2cc(C)cc(C3CCCCC3)c2O)c(O)c(C2CCCCC2)c1
InChI Key
AKNMPWVTPUHKCG-UHFFFAOYSA-N
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
Names and Synonyms
- 2,2′-Methylenebis(4-Methyl-6-Cyclohexylphenol) Systematic Name
- Phenol, 2,2′-methylenebis[6-cyclohexyl-4-methyl- Synonym
- p-Cresol, 2,2′-methylenebis[6-cyclohexyl- Synonym
- 2,2′-Methylenebis[6-cyclohexyl-4-methylphenol] Synonym
- 2,2′-Methylenebis(4-methyl-6-cyclohexylphenol) Synonym
- Bis(3-cyclohexyl-5-methyl-2-hydroxyphenyl)methane Synonym
- Antioxidant ZKF Synonym
- ZKF Synonym
- Bis(3-cyclohexyl-2-hydroxy-5-methylphenyl)methane Synonym
- Vulkanox ZKF Synonym
- 2,2′-Methylenebis[6-cyclohexyl-p-cresol] Synonym
- Bis(2-hydroxy-3-cyclohexyl-5-methylphenyl)methane Synonym
- 2-Cyclohexyl-6-[(3-cyclohexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 392.58 g/mol | CAS Common Chemistry |
| 392.5830000000002 g/mol | RDKit | |
| 392.583 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 |
| 7.4008 | RDKit | |
| 7.07 | chempirical lib | |
| Molar Refractivity | 120.14560000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 392.271530392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 392.58 g/mol. Edit any field — others recompute live.
