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2,3-Dimethyl-2,3-Diphenylbutane
CAS: 1889-67-4 | C18H22
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1889-67-4
Molecular Formula:
C18H22
Molecular Mass:
238.37 g/mol
Names and Synonyms:
2,3-Dimethyl-2,3-Diphenylbutane
Benzene, 1,1′-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
Bibenzyl, α,α,α′,α′-tetramethyl-
1,1′-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis[benzene]
Dicumene
α,α′-Dicumyl
2,3-Dimethyl-2,3-diphenylbutane
2,3-Diphenyl-2,3-dimethylbutane
Dicumyl
1,2-Diphenyltetramethylethane
Interox CC-DFB
α,α,α′,α′-Tetramethylbibenzyl
Perkadox 30
Nofmer BC
1,1,2,2-Tetramethyl-1,2-diphenylethane
Bicumyl
Nofmer BC 90
BC 90
CCDFB 90
NSC 34859
Curox CC-DC
(2,3-Dimethylbutane-2,3-diyl)dibenzene
(2,3-Dimethyl-3-phenylbutan-2-yl)benzene
Identifiers:
SMILES:
CC(C)(c1ccccc1)C(C)(C)c1ccccc1
InChI:
InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
Key Properties
Boiling Point
162-165 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
115 °C
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 | 238.37 g/mol | CAS Common Chemistry |
| 238.37399999999997 g/mol | RDKit | |
| 238.172150704 g/mol | RDKit | |
| Boiling Point | 162-165 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C)(C)C(C=2C=CC=CC2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HGTUJZTUQFXBIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | 2,3-Dimethyl-2,3-diphenylbutane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.942000000000005 | RDKit |
| Molar Refractivity | 78.93600000000005 | RDKit |
