Back to Search
1,3-Bis(Tert-Butylperoxyisopropyl)Benzene
CAS: 2212-81-9 | C20H34O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2212-81-9
Molecular Formula:
C20H34O4
Molecular Mass:
338.49 g/mol
Names and Synonyms:
1,3-Bis(Tert-Butylperoxyisopropyl)Benzene
Peroxide, 1,1′-[1,3-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl)
Peroxide, (m-phenylenediisopropylidene)bis[tert-butyl
Peroxide, [1,3-phenylenebis(1-methylethylidene)]bis[(1,1-dimethylethyl)
1,1′-[1,3-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide]
1,3-Di-tert-butylperoxydiisopropylbenzene
m-Bis[2-(tert-butylperoxy)-2-propyl]benzene
m-Bis(tert-butylperoxyisopropyl)benzene
1,3-Bis(2-tert-butyldioxyprop-2-yl)benzene
1,3-Bis(2-tert-butylperoxy-2-propyl)benzene
1,3-Bis(tert-butylperoxyisopropyl)benzene
1,3-Bis[α-(tert-butyldioxy)isopropyl]benzene
m-Bis[2-(tert-butyldioxy)-2-propyl]benzene
1,3-Bis(1-tert-butyldioxy-1-methylethyl)benzene
1,3-Bis(tert-butyldioxyisopropyl)benzene
m-Bis(2-tert-butylperoxyisopropyl)benzene
1,3-Bis[α-(tert-butylperoxy)isopropyl]benzene
Perkadox 14C
Perkadox 14/96
Perkadox 14/40
Sanperox TY 1.3-90
1,3-Bis(2-tert-butylperoxyisopropyl)benzene
TY 13
Sanperox TY 1.3
Perbutyl P
Perkadox 14/40C
Perbutyl P 40
Perkadox 1K/40
PBP
PBP (peroxide)
Perkadox 14/90
Bis-PO
1,3-Di(2-tert-butylperoxyisopropyl)benzene
Perkadox 14G
α,α′-Bis(tert-butylperoxy)-1,3-diisopropylbenzene
Bis(t-butylperoxyisopropyl)benzene
F 40
F 60
BIBP 90
BIBP-F 40
BIBP-F 40SP2
1,3-Bis(t-butylperoxyisopropyl)benzene
BIPB
BIPB 96
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
Key Properties
Melting Point
49-52 °C
CAS Common Chemistry
Density
0.94 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 | 338.49 g/mol | CAS Common Chemistry |
| 338.4880000000001 g/mol | RDKit | |
| 338.245709568 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9361 g/cm3 @ Temp: 24.34 °C | CAS Common Chemistry | |
| Canonical SMILES | O(OC(C)(C)C)C(C1=CC=CC(=C1)C(OOC(C)(C)C)(C)C)(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=UBRWPVTUQDJKCC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49-52 °C | CAS Common Chemistry |
| Name | 1,3-Bis(tert-butylperoxyisopropyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 5.650200000000006 | RDKit |
| Molar Refractivity | 96.34000000000007 | RDKit |
