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1,3-Bis(Tert-Butylperoxyisopropyl)Benzene
CAS: 2212-81-9 | C20H34O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2212-81-9
Molecular Formula:
C20H34O4
Molecular Weight:
338.4880000000001 g/mol
Names and Synonyms:
1,3-Bis(Tert-Butylperoxyisopropyl)Benzene
Common Name
BIPB 96
Synonym
BIPB
Synonym
1,3-Bis(t-butylperoxyisopropyl)benzene
Synonym
BIBP-F 40SP2
Synonym
BIBP-F 40
Synonym
BIBP 90
Synonym
F 60
Synonym
F 40
Synonym
Bis(t-butylperoxyisopropyl)benzene
Synonym
α,α′-Bis(tert-butylperoxy)-1,3-diisopropylbenzene
Synonym
Perkadox 14G
Synonym
1,3-Di(2-tert-butylperoxyisopropyl)benzene
Synonym
Bis-PO
Synonym
Perkadox 14/90
Synonym
PBP (peroxide)
Synonym
PBP
Synonym
Perkadox 1K/40
Synonym
Perbutyl P 40
Synonym
Perkadox 14/40C
Synonym
Perbutyl P
Synonym
Sanperox TY 1.3
Synonym
TY 13
Synonym
1,3-Bis(2-tert-butylperoxyisopropyl)benzene
Synonym
Sanperox TY 1.3-90
Synonym
Perkadox 14/40
Synonym
Perkadox 14/96
Synonym
Perkadox 14C
Synonym
1,3-Bis[α-(tert-butylperoxy)isopropyl]benzene
Synonym
m-Bis(2-tert-butylperoxyisopropyl)benzene
Synonym
1,3-Bis(tert-butyldioxyisopropyl)benzene
Synonym
1,3-Bis(1-tert-butyldioxy-1-methylethyl)benzene
Synonym
m-Bis[2-(tert-butyldioxy)-2-propyl]benzene
Synonym
1,3-Bis[α-(tert-butyldioxy)isopropyl]benzene
Synonym
1,3-Bis(tert-butylperoxyisopropyl)benzene
Synonym
1,3-Bis(2-tert-butylperoxy-2-propyl)benzene
Synonym
1,3-Bis(2-tert-butyldioxyprop-2-yl)benzene
Synonym
m-Bis(tert-butylperoxyisopropyl)benzene
Synonym
m-Bis[2-(tert-butylperoxy)-2-propyl]benzene
Synonym
1,3-Di-tert-butylperoxydiisopropylbenzene
Synonym
1,1′-[1,3-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide]
Synonym
Peroxide, [1,3-phenylenebis(1-methylethylidene)]bis[(1,1-dimethylethyl)
Synonym
Peroxide, (m-phenylenediisopropylidene)bis[tert-butyl
Synonym
Peroxide, 1,1′-[1,3-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl)
Synonym
Identifiers:
SMILES:
CC(C)(C)OOC(C)(C)c1cccc(C(C)(C)OOC(C)(C)C)c1
InChI:
InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-12-11-13-16(14-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 338.4880000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 338.245709568 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 36.92 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.650200000000006 | RDKit |
| molecular_mass | 338.49 g/mol | Legacy Database |
| density | 0.94 g/cm³ | Legacy Database |
| cas-canonical-smile | O(OC(C)(C)C)C(C1=CC=CC(=C1)C(OOC(C)(C)C)(C)C)(C)C None | Legacy Database |
| cas-density | 0.9361 g/cm3 @ Temp: 24.34 °C None | Legacy Database |
| cas-inchi | InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-12-11-13-16(14-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UBRWPVTUQDJKCC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 49-52 °C None | Legacy Database |
| cas-name | 1,3-Bis(tert-butylperoxyisopropyl)benzene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 96.34000000000007 | RDKit |