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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
Names and Synonyms:
Bisphenol A
Phenol, 4,4′-(1-methylethylidene)bis-
Phenol, 4,4′-isopropylidenedi-
4,4′-(1-Methylethylidene)bis[phenol]
2,2-Bis(p-hydroxyphenyl)propane
2,2-Bis(4-hydroxyphenyl)propane
Bisphenol A
Dian
2,2-Di(4-phenylol)propane
p,p′-Isopropylidenebisphenol
p,p′-Isopropylidenediphenol
Diphenylolpropane
Bis(4-hydroxyphenyl)dimethylmethane
Diano
Pluracol 245
Isopropylidenebis(4-hydroxybenzene)
(4,4′-Dihydroxydiphenyl)dimethylmethane
β,β′-Bis(p-hydroxyphenyl)propane
4,4′-Isopropylidenebis[phenol]
Bis(p-hydroxyphenyl)propane
4,4′-Isopropylidenediphenol
Parabis A
p,p′-Dihydroxydiphenylpropane
p,p′-Bisphenol A
Ipognox 88
Rikabanol
Parabis
2,2-Di(4-hydroxyphenyl)propane
BPA 154
Hidorin F 285
BPA 157
2,2′-Bis(4-hydroxyphenyl)propane
4,4′-Methylethylidenebisphenol
B 0494
NSC 1767
NSC 17959
HT 3082
BPA
BPA-M
Hidorin F 568
4,4′-(Propane-2,2-diyl)diphenol
Nupole BPE-60
HG 3876
Identifiers:
SMILES:
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
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
Key Properties
Boiling Point
220 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
150-155 °C
CAS Common Chemistry
Density
1.20 g/cm³
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 | 228.29 g/mol | CAS Common Chemistry |
| 228.291 g/mol | RDKit | |
| 228.115029752 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.195 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bisphenol_A | CAS Common Chemistry |
| Boiling Point | 220 °C @ Press: 4 Torr | 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 |
| Molar Refractivity | 68.34160000000003 | RDKit |
