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Bisphenol A Diallyl Ether
CAS: 3739-67-1 | C21H24O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3739-67-1
Molecular Formula:
C21H24O2
Molecular Mass:
308.42 g/mol
Names and Synonyms:
Bisphenol A Diallyl Ether
Benzene, 1,1′-(1-methylethylidene)bis[4-(2-propen-1-yloxy)-
Propane, 2,2-bis[p-(allyloxy)phenyl]-
Benzene, 1,1′-(1-methylethylidene)bis[4-(2-propenyloxy)-
1,1′-(1-Methylethylidene)bis[4-(2-propen-1-yloxy)benzene]
2,2-Bis(4-allyloxyphenyl)propane
Bisphenol A diallyl ether
4,4′-Isopropylidenebis[(allyloxy)benzene]
O,O-Diallylbisphenol A
Dial 1
Dial 2
4,4′-Isopropylidenediphenol diallyl ether
BPA-AE
NSC 404194
Homide 126A
912A
CM-BPAED
1-Prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene
Matrimid 2292
Identifiers:
SMILES:
C=CCOc1ccc(C(C)(C)c2ccc(OCC=C)cc2)cc1
InChI:
InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
Key Properties
Boiling Point
125-180 °C
CAS Common Chemistry
Density
1.04 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 | 308.42 g/mol | CAS Common Chemistry |
| 308.421 g/mol | RDKit | |
| 308.177630008 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.043 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 125-180 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)C(C2=CC=C(OCC=C)C=C2)(C)C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCZZNWQQCGSWSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bisphenol A diallyl ether | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 5.142100000000005 | RDKit |
| Molar Refractivity | 96.39600000000004 | RDKit |
