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Molecule
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 Mass
- 338.49 g/mol
Identifiers
CAS Registry Number
2212-81-9
SMILES
CC(C)(C)OOC(C)(C)c1cccc(C(C)(C)OOC(C)(C)C)c1
InChI Key
UBRWPVTUQDJKCC-UHFFFAOYSA-N
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
Names and Synonyms
- 1,3-Bis(Tert-Butylperoxyisopropyl)Benzene Systematic Name
- Peroxide, 1,1′-[1,3-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) Synonym
- Peroxide, (m-phenylenediisopropylidene)bis[tert-butyl Synonym
- Peroxide, [1,3-phenylenebis(1-methylethylidene)]bis[(1,1-dimethylethyl) Synonym
- 1,1′-[1,3-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide] Synonym
- 1,3-Di-tert-butylperoxydiisopropylbenzene Synonym
- m-Bis[2-(tert-butylperoxy)-2-propyl]benzene Synonym
- m-Bis(tert-butylperoxyisopropyl)benzene Synonym
- 1,3-Bis(2-tert-butyldioxyprop-2-yl)benzene Synonym
- 1,3-Bis(2-tert-butylperoxy-2-propyl)benzene Synonym
- 1,3-Bis(tert-butylperoxyisopropyl)benzene Synonym
- 1,3-Bis[α-(tert-butyldioxy)isopropyl]benzene Synonym
- m-Bis[2-(tert-butyldioxy)-2-propyl]benzene Synonym
- 1,3-Bis(1-tert-butyldioxy-1-methylethyl)benzene Synonym
- 1,3-Bis(tert-butyldioxyisopropyl)benzene Synonym
- m-Bis(2-tert-butylperoxyisopropyl)benzene Synonym
- 1,3-Bis[α-(tert-butylperoxy)isopropyl]benzene Synonym
- Perkadox 14C Synonym
- Perkadox 14/96 Synonym
- Perkadox 14/40 Synonym
- Sanperox TY 1.3-90 Synonym
- 1,3-Bis(2-tert-butylperoxyisopropyl)benzene Synonym
- TY 13 Synonym
- Sanperox TY 1.3 Synonym
- Perbutyl P Synonym
- Perkadox 14/40C Synonym
- Perbutyl P 40 Synonym
- Perkadox 1K/40 Synonym
- PBP Synonym
- PBP (peroxide) Synonym
- Perkadox 14/90 Synonym
- Bis-PO Synonym
- 1,3-Di(2-tert-butylperoxyisopropyl)benzene Synonym
- Perkadox 14G Synonym
- α,α′-Bis(tert-butylperoxy)-1,3-diisopropylbenzene Synonym
- Bis(t-butylperoxyisopropyl)benzene Synonym
- F 40 Synonym
- F 60 Synonym
- BIBP 90 Synonym
- BIBP-F 40 Synonym
- BIBP-F 40SP2 Synonym
- 1,3-Bis(t-butylperoxyisopropyl)benzene Synonym
- BIPB Synonym
- BIPB 96 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 338.49 g/mol | CAS Common Chemistry |
| 338.4880000000001 g/mol | RDKit | |
| 338.488 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9361 g/cm3 @ 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 |
| 5.6502 | RDKit | |
| 5.57 | chempirical lib | |
| Molar Refractivity | 96.34000000000007 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 338.245709568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 338.49 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H34O4.
