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Hydrogenated Bisphenol A
CAS: 80-04-6 | C15H28O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-04-6
Molecular Formula:
C15H28O2
Molecular Mass:
240.39 g/mol
Names and Synonyms:
Hydrogenated Bisphenol A
Cyclohexanol, 4,4′-(1-methylethylidene)bis-
Cyclohexanol, 4,4′-isopropylidenedi-
4,4′-(1-Methylethylidene)bis[cyclohexanol]
HBPA
2,2-Bis(4-hydroxycyclohexyl)propane
Hydrogenated bisphenol A
1,1′-Isopropylidenebis[4-cyclohexanol]
Dodecahydrobisphenol A
Perhydrobisphenol A
Hydrobisphenol A
Rikabinol HB
4,4′-Isopropylidenedicyclohexanol
NSC 8990
NSC 8991
NSC 8992
HBPA (diol)
4,4′-(Propane-2,2-diyl)dicyclohexanol
Identifiers:
SMILES:
CC(C)(C1CCC(O)CC1)C1CCC(O)CC1
InChI:
InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3
Key Properties
Melting Point
110-140 °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 | 240.39 g/mol | CAS Common Chemistry |
| 240.38699999999994 g/mol | RDKit | |
| 240.208930136 g/mol | RDKit | |
| Canonical SMILES | OC1CCC(CC1)C(C)(C)C2CCC(O)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CDBAMNGURPMUTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-140 °C | CAS Common Chemistry |
| Name | Hydrogenated bisphenol A | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.1148000000000016 | RDKit |
| Molar Refractivity | 69.71060000000006 | RDKit |
