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| CAS No.: | 644-31-5 |
|---|---|
| Name: | Acetyl benzoyl peroxide |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C9H8 O4 |
| Molecular Weight: | 180.16 |
| Synonyms: | Acetozone;Acetyl benzoyl peroxide; Benzoyl acetyl peroxide; Benzozone |
| Density: | 1.222g/cm3 |
| Melting Point: | 36-37° |
| Boiling Point: | 248.1°C at 760 mmHg |
| Flash Point: | 104°C |
| Hazard Symbols: | Toxic by ingestion. Strong irritant to skin and mucus membranes. Strong oxidizing agent; dangerous in contact with organic materials. Moderate explosion risk when shocked or heated. |
| Safety: | Poison by inhalation and ingestion. Severe irritant. A powerful oxidizing agent that is corrosive to the skin and mucous membranes. See also PEROXIDES, ORGANIC. Dangerous; shock or heat will cause detonation with evolution of toxic fumes; will react with water or steam to produce heat; can react vigorously with reducing materials. Flammable by spontaneous chemical reaction. To fight fire, use CO2 or dry chemical. When heated to decomposition it emits acrid smoke and fumes. |
| PSA: | 52.60000 |
| LogP: | 1.32150 |
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Chemistry
The Molecular Structure of Acetyl benzoyl peroxide (CAS NO.644-31-5):
Molecular Formula: C9H8O4
Molecular Weight: 180.157420 g/mol
IUPAC: acetyl benzenecarboperoxoate
Density: 1.222 g/cm3
Melting Point: 37 at 25°C
Flash Point: 104 °C
Enthalpy of Vaporization: 48.53 kJ/mol
Boiling Point: 248.1 °C at 760 mmHg
Vapour Pressure: 0.0247 mmHg at 25°C
log P (octanol-water): 1.980
Water Solubility: 639mg/L at 25°C
Atmospheric OH Rate Constant: 1.82E-12cm3/molecule-secat 25°C
Nominal Mass: 180 Da
Average Mass: 180.1574 Da
Monoisotopic Mass: 180.042259 Da
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.72
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 5.5): 11.96
ACD/BCF (pH 7.4): 11.96
ACD/KOC (pH 5.5): 205.66
ACD/KOC (pH 7.4): 205.66
Polar Surface Area: 52.6Å2
Index of Refraction: 1.515
Molar Refractivity: 44.43 cm3
Molar Volume: 147.3 cm3
Surface Tension: 42.7 dyne/cm
InChI: InChI=1/C9H8O4/c1-7(10)12-13-9(11)8-5-3-2-4-6-8/h2-6H,1H3
Smiles: c1(C(OOC(C)=O)=O)ccccc1
Safety Profile
Poison by inhalation and ingestion. Severe irritant. A powerful oxidizing agent that is corrosive to the skin and mucous membranes. See also PEROXIDES, ORGANIC. Dangerous; shock or heat will cause detonation with evolution of toxic fumes; will react with WATER or steam to produce heat; can react vigorously with reducing materials. Flammable by spontaneous chemical reaction. To fight fire, use CO2 or dry chemical. When heated to decomposition it emits acrid smoke and fumes.
Standards and Recommendations
DOT Classification: Forbidden
Specification
Acetyl benzoyl peroxide (CAS NO.644-31-5) is also called as Acetozone ; Acetozone ; Benzoyl acetyl peroxide ; Benzozone ; EINECS 211-412-7 ; HSDB 968 ; Peroxide, acetyl benzoyl ; Peroxide, acetyl benzoyl (solid) ; Peroxide, acetyl benzoyl ; Acetyl benzoyl peroxide, solid, or >40% in solution ; Acetyl benzoyl peroxide, solid, or >40% in solution [Forbidden] .