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2,2-Bis(3,5-Dimethyl-4-Hydroxyphenyl)Propane
CAS: 5613-46-7 | C19H24O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5613-46-7
Molecular Formula:
C19H24O2
Molecular Mass:
284.40 g/mol
Names and Synonyms:
2,2-Bis(3,5-Dimethyl-4-Hydroxyphenyl)Propane
Phenol, 4,4′-(1-methylethylidene)bis[2,6-dimethyl-
2,6-Xylenol, 4,4′-isopropylidenedi-
4,4′-(1-Methylethylidene)bis[2,6-dimethylphenol]
2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane
4,4′-Isopropylidenedi-2,6-xylenol
Bisxylenol A
2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propane
4,4′-Isopropylidenebis(2,6-dimethylphenol)
Tetramethylbisphenol A
3,3′,5,5′-Tetramethyl-4,4′-dihydroxydiphenyl-2,2-propane
NSC 73730
Bis(3,5-dimethyl-4-hydroxyphenyl)isopropylidene
Identifiers:
SMILES:
Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChI:
InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
Key Properties
Melting Point
164-165 °C @ Solvent: Benzene
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 | 284.40 g/mol | CAS Common Chemistry |
| 284.399 g/mol | RDKit | |
| 284.177630008 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(=CC1C)C(C=2C=C(C(O)=C(C2)C)C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ODJUOZPKKHIEOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-165 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propane | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 4.657380000000004 | RDKit |
| Molar Refractivity | 87.28960000000004 | RDKit |
