Back to Search
Bisphenol C
CAS: 79-97-0 | C17H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-97-0
Molecular Formula:
C17H20O2
Molecular Mass:
256.34 g/mol
Names and Synonyms:
Bisphenol C
Phenol, 4,4′-(1-methylethylidene)bis[2-methyl-
o-Cresol, 4,4′-isopropylidenedi-
4,4′-(1-Methylethylidene)bis[2-methylphenol]
Bisphenol C
4,4′-Isopropylidenedi-o-cresol
2,2-Bis(4-hydroxy-3-methylphenyl)propane
Nonox DCP
3,3′-Dimethyldian
2,2-Bis(3-methyl-4-hydroxyphenyl)propane
4,4′-Isopropylidenebis[2-methylphenol]
4,4′-Dihydroxy-3,3′-dimethyldiphenyl-2,2-propane
Dicresylolpropane
3,3′-Dimethylbisphenol A
Bis-o-cresol A
3,3′-Dimethyl-4,4′-dihydroxydiphenyl-2,2-propane
2,2′-Dimethyl-4,4′-isopropylidenebisphenol
2,2′-(4-Hydroxy-3-methylphenyl)propane
NSC 408489
B 1567
Identifiers:
SMILES:
Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O
InChI:
InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
Key Properties
Melting Point
136 °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 | |
| Canonical SMILES | OC1=CC=C(C=C1C)C(C2=CC=C(O)C(=C2)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YMTYZTXUZLQUSF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136 °C | CAS Common Chemistry |
| Name | Bisphenol C | 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 | 4.040540000000004 | RDKit |
| Molar Refractivity | 77.81560000000003 | RDKit |
