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Tetramethyl Bisphenol F
CAS: 5384-21-4 | C17H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5384-21-4
Molecular Formula:
C17H20O2
Molecular Mass:
256.34 g/mol
Names and Synonyms:
Tetramethyl Bisphenol F
Phenol, 4,4′-methylenebis[2,6-dimethyl-
2,6-Xylenol, 4,4′-methylenedi-
4,4′-Methylenebis[2,6-dimethylphenol]
3,3′,5,5′-Tetramethyl-4,4′-dihydroxydiphenylmethane
4,4′-Methylenedi-2,6-xylenol
4,4′-Dihydroxy-3,3′,5,5′-tetramethyldiphenylmethane
Bis(4-hydroxy-3,5-dimethylphenyl)methane
4,4′-Methylenebis[2,6-xylenol]
Bis(3,5-dimethyl-4-hydroxyphenyl)methane
4,4′-Methylenebis(2,6-dimethylphenol)
Desoxon M
TMBPF
NSC 128403
Identifiers:
SMILES:
Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O
InChI:
InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3
Key Properties
Melting Point
175 °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 | 256.34 g/mol | CAS Common Chemistry |
| 256.34499999999997 g/mol | RDKit | |
| 256.14632988 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethyl_bisphenol_F | CAS Common Chemistry |
| Canonical SMILES | OC=1C(=CC(=CC1C)CC=2C=C(C(O)=C(C2)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AZZWZMUXHALBCQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | Bis(3,5-dimethyl-4-hydroxyphenyl)methane | CAS Common Chemistry |
| Tetramethyl bisphenol F | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.922280000000003 | RDKit |
| Molar Refractivity | 77.96760000000003 | RDKit |
