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| CAS No.: | 2155-71-7 |
|---|---|
| Name: | di-tert-butyl diperoxyphthalate |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C16H22 O6 |
| Molecular Weight: | 310.347 |
| Synonyms: | 1,2-Benzenedicarboperoxoicacid, bis(1,1-dimethylethyl) ester (9CI); Peroxyphthalic acid, di-tert-butylester (7CI,8CI); Di-tert-butyl diperoxyphthalate; Di-tert-butyl diperphthalate;Di-tert-butyl perphthalate; Kayaester PH; Lupersol KDB; NSC 43583; Trigonox 111 |
| Density: | 1.12g/cm3 |
| Boiling Point: | 442.2°Cat760mmHg |
| Flash Point: | 194.3°C |
| Safety: | A shock-sensitive explosive. Upon decomposition it emits acrid smoke and fumes. |
| PSA: | 71.06000 |
| LogP: | 3.46040 |
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Chemistry
Molecule structure of Di-tert-butyl diperoxyphthalate (CAS NO.2155-71-7) :
IUPAC Name: ditert-butyl benzene-1,2-dicarboperoxoate
Molecular Weight: 310.34228 g/mol
Molecular Formula: C16H22O6
Density: 1.12 g/cm3
Boiling Point: 442.2 °C at 760 mmHg
Flash Point: 194.3 °C
Index of Refraction: 1.496
Molar Refractivity: 81.01 cm3
Molar Volume: 277 cm3
Polarizability: 32.11*10-24 cm3
Surface Tension: 37.3 dyne/cm
Enthalpy of Vaporization: 69.96 kJ/mol
Vapour Pressure: 5.12E-08 mmHg at 25 °C
XLogP3: 3.6
H-Bond Acceptor: 6
Rotatable Bond Count: 8
Exact Mass: 310.141638
MonoIsotopic Mass: 310.141638
Topological Polar Surface Area: 71.1
Heavy Atom Count: 22
Complexity: 352
Canonical SMILES: CC(C)(C)OOC(=O)C1=CC=CC=C1C(=O)OOC(C)(C)C
InChI: InChI=1S/C16H22O6/c1-15(2,3)21-19-13(17)11-9-7-8-10-12(11)14(18)20-22-16(4,5)6/h7-10H,1-6H3
InChIKey: QZYRMODBFHTNHF-UHFFFAOYSA-N
EINECS: 218-454-5
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 125mg/kg (125mg/kg) | SPI Bulletin. Vol. 1/75-19B, |
Safety Profile
A shock-sensitive explosive. Upon decomposition it emits acrid smoke and fumes.
Specification
Di-tert-butyl diperoxyphthalate (CAS NO.2155-71-7) is also called 1,2-Benzenedicarboperoxoic acid, bis(1,1-dimethylethyl) ester ; Di-(terc-butilperoxi)ftalato [Spanish] ; Di-tert-butyl diperphthalate ; Di-tert-butyl perphthalate ;
Diperoxyphtalate de tert-butyle [French] ; Kayaester PH ; Lupersol KDB ; NSC 43583 ; Perbutyl MA ; Trigonox 111 . Di-tert-butyl diperoxyphthalate (CAS NO.2155-71-7) is crystalline solid mixed with water. Water can lessen the explosion hazard. Peroxides, such as Di-tert-butyl diperoxyphthalate (CAS NO.2155-71-7) , are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness.