Back to Search
Molecule
Bisphenol A
CAS: 80-05-7 · C15H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 80-05-7
- Molecular Formula
- C15H16O2
- Molecular Mass
- 228.29 g/mol
Identifiers
CAS Registry Number
80-05-7
SMILES
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChI Key
IISBACLAFKSPIT-UHFFFAOYSA-N
InChI
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
Names and Synonyms
- Bisphenol A Common Name
- Phenol, 4,4′-(1-methylethylidene)bis- Synonym
- Phenol, 4,4′-isopropylidenedi- Synonym
- 4,4′-(1-Methylethylidene)bis[phenol] Synonym
- 2,2-Bis(p-hydroxyphenyl)propane Synonym
- 2,2-Bis(4-hydroxyphenyl)propane Synonym
- Bisphenol A Synonym
- Dian Synonym
- 2,2-Di(4-phenylol)propane Synonym
- p,p′-Isopropylidenebisphenol Synonym
- p,p′-Isopropylidenediphenol Synonym
- Diphenylolpropane Synonym
- Bis(4-hydroxyphenyl)dimethylmethane Synonym
- Diano Synonym
- Pluracol 245 Synonym
- Isopropylidenebis(4-hydroxybenzene) Synonym
- (4,4′-Dihydroxydiphenyl)dimethylmethane Synonym
- β,β′-Bis(p-hydroxyphenyl)propane Synonym
- 4,4′-Isopropylidenebis[phenol] Synonym
- Bis(p-hydroxyphenyl)propane Synonym
- 4,4′-Isopropylidenediphenol Synonym
- Parabis A Synonym
- p,p′-Dihydroxydiphenylpropane Synonym
- p,p′-Bisphenol A Synonym
- Ipognox 88 Synonym
- Rikabanol Synonym
- Parabis Synonym
- 2,2-Di(4-hydroxyphenyl)propane Synonym
- BPA 154 Synonym
- Hidorin F 285 Synonym
- BPA 157 Synonym
- 2,2′-Bis(4-hydroxyphenyl)propane Synonym
- 4,4′-Methylethylidenebisphenol Synonym
- B 0494 Synonym
- NSC 1767 Synonym
- NSC 17959 Synonym
- HT 3082 Synonym
- BPA Synonym
- BPA-M Synonym
- Hidorin F 568 Synonym
- 4,4′-(Propane-2,2-diyl)diphenol Synonym
- Nupole BPE-60 Synonym
- HG 3876 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.29 g/mol | CAS Common Chemistry |
| 228.291 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.195 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bisphenol_A | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IISBACLAFKSPIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150-155 °C | CAS Common Chemistry |
| Name | 2,2-Bis(4-hydroxyphenyl)propane | CAS Common Chemistry |
| 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 | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.423700000000002 | RDKit |
| 3.4237 | RDKit | |
| Molar Refractivity | 68.34160000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 228.115029752 g/mol | RDKit |
| Boiling Point | 220 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 228.29 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H16O2.
