Acetyl benzoyl peroxide

Base Information

• Chemical Name: Acetyl benzoyl peroxide
• CAS No.: 644-31-5
• Molecular Formula: C9H8 O4
• Molecular Weight: 180.16
• Hs Code.: 2916399090
• European Community (EC) Number: 211-412-7
• UN Number: 3105
• UNII: 5AA81KS1U5
• DSSTox Substance ID: DTXSID9074561
• Nikkaji Number: J7.063G
• Wikipedia: Acetozone
• Wikidata: Q4726890
• Mol file: 644-31-5.mol

Synonyms:Acetozone;ACETYL BENZOYL PEROXIDE;644-31-5;Benzozone;Peroxide, acetyl benzoyl;acetyl benzenecarboperoxoate;Benzoyl acetyl peroxide;UNII-5AA81KS1U5;5AA81KS1U5;HSDB 968;Peroxide, acetyl benzoyl (solid);EINECS 211-412-7;ACETOZONE [MI];SCHEMBL636224;DTXSID9074561;NA2081;UN2081;ACETYL BENZOYL PEROXIDE [HSDB];AKOS006280179;Q4726890

Chemical Property of Acetyl benzoyl peroxide

Chemical Property:

• Vapor Pressure: 0.0247mmHg at 25°C
• Melting Point: 36-37°
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 248.1°C at 760 mmHg
• Flash Point: 104°C
• PSA: 52.60000
• Density: 1.222g/cm³
• LogP: 1.32150
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 194
• Transport DOT Label: Organic Peroxide

Purity/Quality:

98%, ^*data from raw suppliers

ACETYL BENZENE CARBOPEROXOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 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.
• Hazard Codes: 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.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Peroxides, Organic
• Canonical SMILES: CC(=O)OOC(=O)C1=CC=CC=C1
• Uses: Germicide; in bleaching of flour and food oils.

Technology Process of Acetyl benzoyl peroxide

There total 11 articles about Acetyl benzoyl peroxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 40.0%

Perbenzoic acid (93-59-4) + acetyl chloride (75-36-5) → acetyl benzoyl peroxide (644-31-5)

Guidance literature:

With pyridine; In diethyl ether; for 0.75h; Cooling with ice;

DOI:10.1039/c4ob00993b

Reference yield: 10.0%

1-Phenylprop-1-yne (673-32-5) → acetyl benzoyl peroxide (644-31-5) + benzoyl acetate (2819-08-1) + 1-Phenylpropane-1,2-dione (579-07-7)

Guidance literature:

With ozone; In dichloromethane; at -60 ℃; Yields of byproduct given;

DOI:10.1002/prac.199733901101

Reference yield:

acetic anhydride (108-24-7) + benzaldehyde (100-52-7) → acetyl benzoyl peroxide (644-31-5)

Guidance literature:

With air; at 35 ℃;

upstream raw materials:

Perbenzoic acid

acetic anhydride

benzaldehyde

peracetic acid

Downstream raw materials:

Perbenzoic acid

benzoic acid

methane

succinic acid

Refernces

• 1、 Davies, D. Martin,Deary, Michael E.. "Stability of 1:1 and 2:1 α-cyclodextrin-p-nitrophenyl acetate complexes and the effect of α-cyclodextrin on acyl transfer to peroxide anion nucleophiles". . p. 1027 - 1034. Retrieved 2007/10/03.
• 2、 Nedelec, J. Y.,Lefort, D.. "POLARISATION NUCLEAIRE INDUITE CHIMIQUEMENT: ETUDE COMPARATIVE DE LA DECOMPOSITION THERMIQUE ET PHOTOCHIMIQUE DE PEROXYDES D'ACYLE BENZOYLE". . p. 3199 - 3204. Retrieved 2007/10/02.