Back to Search

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 Weight: 228.291 g/mol

Names and Synonyms:

Bisphenol A
HG 3876
Nupole BPE-60
4,4′-(Propane-2,2-diyl)diphenol
Hidorin F 568
BPA-M
BPA
HT 3082
NSC 17959
NSC 1767
B 0494
4,4′-Methylethylidenebisphenol
2,2′-Bis(4-hydroxyphenyl)propane
BPA 157
Hidorin F 285
BPA 154
2,2-Di(4-hydroxyphenyl)propane
Parabis
Rikabanol
Ipognox 88
p,p′-Bisphenol A
p,p′-Dihydroxydiphenylpropane
Parabis A
4,4′-Isopropylidenediphenol
Bis(p-hydroxyphenyl)propane
4,4′-Isopropylidenebis[phenol]
β,β′-Bis(p-hydroxyphenyl)propane
(4,4′-Dihydroxydiphenyl)dimethylmethane
Isopropylidenebis(4-hydroxybenzene)
Pluracol 245
Diano
Bis(4-hydroxyphenyl)dimethylmethane
Diphenylolpropane
p,p′-Isopropylidenediphenol
p,p′-Isopropylidenebisphenol
2,2-Di(4-phenylol)propane
Dian
Bisphenol A
2,2-Bis(4-hydroxyphenyl)propane
2,2-Bis(p-hydroxyphenyl)propane
4,4′-(1-Methylethylidene)bis[phenol]
Phenol, 4,4′-isopropylidenedi-
Phenol, 4,4′-(1-methylethylidene)bis-

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

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
cas-boiling-point 220 °C @ Press: 4 Torr None Legacy Database
molecular_mass 228.29 g/mol Legacy Database
density 1.20 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Bisphenol_A None Legacy Database
cas-canonical-smile OC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)(C)C None Legacy Database
cas-density 1.195 g/cm3 @ Temp: 25 °C None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=IISBACLAFKSPIT-UHFFFAOYSA-N None Legacy Database
cas-melting-point 150-155 °C None Legacy Database
cas-name 2,2-Bis(4-hydroxyphenyl)propane None Legacy Database
wikipedia-name Bisphenol A None Legacy Database
LogP 3.423700000000002 RDKit

Molecular

Property Value Source
Molecular Weight 228.291 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 228.115029752 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 17 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 40.46 Ų RDKit

Molar

Property Value Source
Molar Refractivity 68.34160000000003 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close