ContaminantDB: Benzoyl peroxide

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:34:11 UTC

Update Date

2026-03-27 00:36:32 UTC

Accession Number

CHEM004082

Identification

Common Name

Benzoyl peroxide

Class

Small Molecule

Description

Benzoyl peroxide is a commonly used drug in topical treatments for acne.[L33249,L33264,L33269,L33299,L33314] It has been formulated as products with either a single active ingredient,[L33249,L33299] or with [erythromycin],[L33264] [clindamycin],[L33269] or [adapalene].[L33314] After administration, the peroxide bond is cleaved, allowing benzoyloxy radicals to nonspecifically interact with proteins.[A18903,A233859] This treatment decreases keratin and sebum around follicles, as well as increasing turnover of epithelial cells.[A234059,A234064,A234069] Benzoyl peroxide, in combination with erythromycin, was granted FDA approval on 26 October 1984.[L33264]

Contaminant Sources

Clean Air Act Chemicals
Cosmetic Chemicals
EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
IARC Carcinogens Group 3
OECD HPV Chemicals
OSHA Hazardous Chemicals
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
Bepio	Kegg
Abcat 40	HMDB
Abcure S-40-25	HMDB
Acetoxyl	HMDB
AcetOxyl 2.5 and 5	HMDB
Acnegel	HMDB
Akneroxid 5	HMDB
Akneroxid L	HMDB
Akneroxide L	HMDB
Aksil 5	HMDB
Asidopan	HMDB
Aztec benzoyl peroxide-70-77	HMDB
Aztec benzoyl peroxide-dry	HMDB
Aztec bpo	HMDB
Benbel c	HMDB
Benox 50	HMDB
Benoxyl	HMDB
Benoxyl (5&10) lotion	HMDB
Benzac	HMDB
Benzac W	HMDB
Benzagel	HMDB
Benzagel 10	HMDB
Benzaknen	HMDB
Benzaknew	HMDB
Benzamycin	HMDB
Benzashave	HMDB
Benzoic acid, peroxide	HMDB
Benzol peroxide	HMDB
Benzoperoxide	HMDB
Benzoyl	HMDB
Benzoyl peroide	HMDB
Benzoyl peroxide (luperox(R) a70S)	HMDB
Benzoyl peroxide (luperox(R) a75)	HMDB
Benzoyl peroxide (luperox(R) a75fp)	HMDB
Benzoyl peroxide (luperox(R) a98)	HMDB
Benzoyl peroxide(usan)	HMDB
Benzoyl peroxide, blend in dibutyl phthalate	HMDB
Benzoyl peroxide, blend in tricresyl phosphate	HMDB
Benzoyl peroxide, usan	HMDB
Benzoyl superoxide	HMDB
Benzoylperoxid	HMDB
Benzoylperoxyde	HMDB
BPO	HMDB
Brevoxyl	HMDB
Cadat bpo	HMDB
Cadet	HMDB
Cadet bpo-70W	HMDB
Cadox	HMDB
Cadox 40E	HMDB
Cadox b	HMDB
Cadox b 40E	HMDB
Cadox b 50P	HMDB
Cadox b 70W	HMDB
Cadox b-CH 50	HMDB
Cadox bpo-w40	HMDB
Cadox BS	HMDB
Cadox bta	HMDB
Cadox BTW-50	HMDB
Chaloxyd BP 50FT	HMDB
Clear by design	HMDB
Clearasil antibacterial acne lotion	HMDB
Clearasil benzoyl peroxide lotion	HMDB
Clearasil BP acne treatment	HMDB
Debroxide	HMDB
Dermoxyl	HMDB
Desanden	HMDB
Desquam e	HMDB
Desquam X	HMDB
Desquam-X	HMDB
Dibenzoylperoxid	HMDB
Dibenzoylperoxyde	HMDB
Diphenylglyoxal peroxide	HMDB
Diphenylglyoxal superoxide	HMDB
Diphenylperoxyanhydride	HMDB
DRY and clear	HMDB
Duresthin 5	HMDB
Eloxyl	HMDB
Epi clear antiseptic lotion	HMDB
Epi-clear	HMDB
Florox	HMDB
Fostex bpo	HMDB
Garox	HMDB
Incidol	HMDB
Loroxide	HMDB
Lucidol	HMDB
Lucidol (peroxide)	HMDB
Lucidol 50P	HMDB
Lucidol 75fp	HMDB
Lucidol b 50	HMDB
Lucidol g 20	HMDB
Lucidol GS	HMDB
Lucidol KL 50	HMDB
Lucidol RM	HMDB
Lucidol-70	HMDB
Lucidol-78	HMDB
Lucilite	HMDB
Lucipal	HMDB
Luperco	HMDB
Luperco a	HMDB
Luperco aa	HMDB
Luperco ac	HMDB
Luperco afr	HMDB
Luperco afr-250	HMDB
Luperco ast	HMDB
Luperox a98	HMDB
Luperox FL	HMDB
Luzidol	HMDB
Mixture OF dibenzoyl peroxide and calcium sulfate	HMDB
Mixture OF dibenzoyl peroxide and calcium sulphate	HMDB
Mytolac	HMDB
Nayper b and bo	HMDB
Nayper bo	HMDB
Nericur	HMDB
Norox BZP-250	HMDB
Norox BZP-C-35	HMDB
Novadeiox	HMDB
Novadelox	HMDB
NSC 675	HMDB
Oxy 5	HMDB
Oxy wash	HMDB
Oxy-10 cover	HMDB
Oxy-5	HMDB
Oxy-L	HMDB
Oxylite	HMDB
Panoxyl	HMDB
Periygel	HMDB
Perossido di benzoile	HMDB
Peroxide, benzoyl	HMDB
Peroxide, dibenzoyl	HMDB
Peroxyde de benzoyle	HMDB
Peroxyderm	HMDB
Peroxydex	HMDB
Persa-gel	HMDB
Persadox	HMDB
Phisoac BP	HMDB
Preoxydex	HMDB
Presadox	HMDB
Quinolor compound	HMDB
Resdan akne	HMDB
Sanoxit	HMDB
Silica hydrogel	HMDB
Stri-dex b.p	HMDB
Stri-dex b.p.	HMDB
Sulfoxyl	HMDB
Superox	HMDB
Superox 744	HMDB
Superoxide, benzoyl	HMDB
Superoxide, diphenylglyoxal	HMDB
Thermaderm	HMDB
Topex	HMDB
Vanoxide	HMDB
Xerac	HMDB
Xerac BP	HMDB
Xerac BP 10	HMDB
Xerac BP 5	HMDB
Dibenzoyl peroxide	HMDB

Chemical Formula

C₁₄H₁₀O₄

Average Molecular Mass

242.227 g/mol

Monoisotopic Mass

242.058 g/mol

CAS Registry Number

94-36-0

IUPAC Name

benzoyl benzenecarboperoxoate

Traditional Name

fostex

SMILES

O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H

InChI Key

OMPJBNCRMGITSC-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as benzoyl peroxides. These are organic compounds containing two benzoyl groups O-linked to each other via a peroxide group. Their skeleton has the general formula [C6H5C(O)]2O2.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoyl peroxides

Direct Parent

Benzoyl peroxides

Alternative Parents

Substituents

Benzoyl peroxide
Peroxybenzoate
Benzoic acid or derivatives
Benzoyl
Dicarboxylic acid or derivatives
Peroxycarboxylic acid or derivatives
Carboxylic acid salt
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

carbonyl compound (CHEBI:82405 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.029 g/L	ALOGPS
logP	2.75	ALOGPS
logP	3.95	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Basic)	-7.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	64.77 m³·mol⁻¹	ChemAxon
Polarizability	24.16 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-0900000000-423d9df6ef4f9ce5a079	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0390000000-50998e66fa2f7bef20e1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-0920000000-e7246fd3375ad32b63a9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-4900000000-584b69634dd12fe901d3	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0090000000-31279cde2ca79ff16285	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0290000000-9bcc1591e9874715a701	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udi-3930000000-ac2e3837cbd47bd6015d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4l-0980000000-c0b8b681a6b292a33c25	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-0900000000-488d41e3a0b2e5a9eb49	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-2900000000-2602e3f446e8009ad5fd	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0090000000-871b46014990fc059dac	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0090000000-c13c84561286f2b25014	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-f83e28014dc1944fb49a	Spectrum