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Di-tert-butyl diperoxyphthalate

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Name

Di-tert-butyl diperoxyphthalate

EINECS N/A
CAS No. 2155-71-7 Density 1.12g/cm3
PSA 71.06000 LogP 3.46040
Solubility N/A Melting Point N/A
Formula C16H22 O6 Boiling Point 442.2°Cat760mmHg
Molecular Weight 310.347 Flash Point 194.3°C
Transport Information N/A Appearance N/A
Safety A shock-sensitive explosive. Upon decomposition it emits acrid smoke and fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 2155-71-7 (di-tert-butyl diperoxyphthalate) Hazard Symbols N/A
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

Article Data 6

Di-tert-butyl diperoxyphthalate Chemical Properties

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

Di-tert-butyl diperoxyphthalate 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,

Di-tert-butyl diperoxyphthalate Safety Profile

A shock-sensitive explosive. Upon decomposition it emits acrid smoke and fumes.

Di-tert-butyl diperoxyphthalate 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.

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