Benzoyl peroxide

Athanor · official

C₁₄H₁₀O₄ · 242.23 g/mol

IUPAC name: benzoyl benzenecarboperoxoate

Also called BPO, radical initiator, acne treatment

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Drawn from its SMILES with RDKit

DangerHeating may cause a fire or explosion · May cause an allergic skin reaction · Causes serious eye irritation · Very toxic to aquatic life · Very toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: benzoyl benzenecarboperoxoate
Synonyms: BPO, radical initiator, acne treatment
+ 38 more
Dibenzoyl peroxide, Benzoyl superoxide, Peroxide, dibenzoyl, Benzoperoxide, Lucidol, Panoxyl, Acetoxyl, Persadox, Benoxyl, Oxylite, benzoyl benzenecarboperoxoate, Dibenzoylperoxid, Benzol peroxide, Benzoylperoxid, Asidopan, Mytolac, Benzac, Eloxyl, Resdan Akne, Diphenylglyoxal peroxide, Epi-Clear, Persa-Gel, Akneroxid 5, Dry and Clear, Duresthin 5, Benzoylperoxyde, Luperco AST, Loroxide, Nayper BO, Theraderm, Dibenzoylperoxyde, Peroxyde de benzoyle, Lucidol B 50, Lucidol G 20, Perossido di benzoile, Benzaknen, Brevoxyl, Debroxide
Molecular formula: C₁₄H₁₀O₄
Empirical formula: C₇H₅O₂
Molecular weight: 242.23 g/mol
Exact mass: 242.05791
CAS number: 94-36-0
PubChem CID: 7187
Canonical SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Isomeric SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
InChI: 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
InChIKey: OMPJBNCRMGITSC-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Orthorhombic prisms from ether[6]
8 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Benzoyl peroxide appears as odorless white powder or granules. Sinks in water. (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Liquid; CBI; Dry Powder; Wet Solid [2] EPA Chemical Data Reporting (CDR)
– WHITE CRYSTALS OR POWDER. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless to white crystals or a granular powder with a faint, benzaldehyde-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless to white crystals or a granular powder with a faint, benzaldehyde-like odor. [5] The National Institute for Occupational Safety and Health (NIOSH)
– White, granular crystalline solid [6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
–shown Orthorhombic prisms from ether [6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 3-44
– Colorless to white crystals or a granular powder. [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 94-116. Washington, D.C.: U.S. Government Printing Office, June 1994., p. 26
Odor: Faint, benzaldehyde-like odor.[6]
Melting point: 103 to 105 °C (217 to 221 °F) (decomposes) (NTP, 1992)[1]
4 values
3 of 4 sources agree on it (most common value).
Value As written Source
103 to 105 °Cshown 217 to 221 °F (decomposes) (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
103 °C 217 °F [4] Occupational Safety and Health Administration (OSHA)
105 °C 105 °C [7] PAC Chemical Database, U.S. Department of Energy
103 °C 217 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: Reported, but no value passed the checks.
The value and why
Decomposes explosively (NTP, 1992) (could not be read; source [1])
Density: 1.3340 at 25 °C[6]
6 values
6 of 6 sources agree on it (most common value).
Value As written Source
– 1.334 at 59 °F (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–shown 1.3340 at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
– 1.3 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.33 [4] Occupational Safety and Health Administration (OSHA)
– 1.334 @25 °C [7] PAC Chemical Database, U.S. Department of Energy
– 1.33 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water: poor[3]
6 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– less than 1 mg/mL at 79 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– In water, 9.10 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Chem Inspect Test Inst; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan; Published by Japan Chemical Industry Ecology-Toxicology & Information Center. ISBN 4-89074-101-1 (1992)
– Slightly soluble in water [6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
– For more Solubility (Complete) data for Dibenzoyl peroxide (6 total), please visit the HSDB record page. [6] Hazardous Substances Data Bank (HSDB)
–shown Solubility in water: poor [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– <1% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 3.46[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 3.46 [6] Hazardous Substances Data Bank (HSDB)cites Sangster J; LOGKOW Databank. Sangster Res. Lab., Montreal Quebec, Canada (1994)
–shown 3.46 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: less than 0.1 mmHg at 20 °C (68 °F, NTP 1992)[1]
Flash point: 80 °C (176 °F, NIOSH 2024)[1]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
80 °Cshown 176 °F (NIOSH, 2024) [1] CAMEO Chemicals
80 °C 80 °C [6] Hazardous Substances Data Bank (HSDB)cites Pohanish, R.P. (ed). Sittig's Handbook of Toxic and Hazardous Chemical Carcinogens 6th Edition Volume 1: A-K,Volume 2: L-Z. William Andrew, Waltham, MA 2012, p. 368
80 °C 176 °F [4] Occupational Safety and Health Administration (OSHA)
80 °C 176 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 80 °C (176 °F)[6]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
80 °C 176 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
80 °Cshown 176 °F [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 395
80 °C 80 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Benzoyl peroxide appears as odorless white powder or granules. Sinks in water. (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Liquid; CBI; Dry Powder; Wet Solid	[2] EPA Chemical Data Reporting (CDR)
–	WHITE CRYSTALS OR POWDER.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless to white crystals or a granular powder with a faint, benzaldehyde-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless to white crystals or a granular powder with a faint, benzaldehyde-like odor.	[5] The National Institute for Occupational Safety and Health (NIOSH)
–	White, granular crystalline solid	[6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
–shown	Orthorhombic prisms from ether	[6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 3-44
–	Colorless to white crystals or a granular powder.	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 94-116. Washington, D.C.: U.S. Government Printing Office, June 1994., p. 26

Value	As written	Source
103 to 105 °Cshown	217 to 221 °F (decomposes) (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
103 °C	217 °F	[4] Occupational Safety and Health Administration (OSHA)
105 °C	105 °C	[7] PAC Chemical Database, U.S. Department of Energy
103 °C	217 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.334 at 59 °F (USCG, 1999) - Denser than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–shown	1.3340 at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
–	1.3 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.33	[4] Occupational Safety and Health Administration (OSHA)
–	1.334 @25 °C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.33	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	less than 1 mg/mL at 79 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	In water, 9.10 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Chem Inspect Test Inst; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan; Published by Japan Chemical Industry Ecology-Toxicology & Information Center. ISBN 4-89074-101-1 (1992)
–	Slightly soluble in water	[6] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
–	For more Solubility (Complete) data for Dibenzoyl peroxide (6 total), please visit the HSDB record page.	[6] Hazardous Substances Data Bank (HSDB)
–shown	Solubility in water: poor	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	<1%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 3.46	[6] Hazardous Substances Data Bank (HSDB)cites Sangster J; LOGKOW Databank. Sangster Res. Lab., Montreal Quebec, Canada (1994)
–shown	3.46	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
80 °Cshown	176 °F (NIOSH, 2024)	[1] CAMEO Chemicals
80 °C	80 °C	[6] Hazardous Substances Data Bank (HSDB)cites Pohanish, R.P. (ed). Sittig's Handbook of Toxic and Hazardous Chemical Carcinogens 6th Edition Volume 1: A-K,Volume 2: L-Z. William Andrew, Waltham, MA 2012, p. 368
80 °C	176 °F	[4] Occupational Safety and Health Administration (OSHA)
80 °C	176 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
80 °C	176 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
80 °Cshown	176 °F	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 395
80 °C	80 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 18
Rings: 2
Aromatic rings: 2
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 4
Rotatable bonds: 2 computed here · PubChem 5
TPSA (Å²): 52.6
Formal charge: 0
XLogP3: 3.5 PubChem
Complexity: 258 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C2 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C69.42%
H4.16%
O26.42%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 2.62 Crippen (Wildman and Crippen 1999)
log S (water solubility): -3.35 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.68 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 242.23
log P ≤ 5 (Crippen): 2.62
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 4

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [8].

Explosive
Flammable
Harmful or irritant
Environmental hazard

H241Heating may cause a fire or explosion
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects

Precautionary statements: P210, P234, P235, P240, P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P380+P375, P378, P391, P403, P410, P411, P420, P501

View all classifications (5)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH241, H317, H319, H400, H410
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1679) of reports.
[9] European Chemicals Agency (ECHA) · 1,679 reports · DangerH241, H400, H410
[9] European Chemicals Agency (ECHA) · DangerH241, H242, H317, H319
[6] Hazardous Substances Data Bank (HSDB) · DangerH241, H317, H319

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 5 mg/m³[4]
PEL: TWA 5 mg/m3[5]
TLV: 5 mg/m[3]
IDLH: 1500 mg/m3 (NIOSH, 2024)[1]
IDLH: 1500 mg/cu m[6]
IDLH: 1500 mg/m³[4]

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
(General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Soap wash promptly - If this chemical contacts the skin, promptly wash the contaminated skin with soap and water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with soap and water.[5]
Fresh air, rest.[3]
Remove contaminated clothes. Rinse and then wash skin with water and soap.[3]

Storage

Fireproof. Separated from combustible substances and reducing agents. Store only in original packaging. See Chemical Dangers.[3]
Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Other explosive hazardous materials.[6]
All precautions must be taken to guard against fire and explosion hazards. Keep in a cool place, out of the direct rays of the sun, away from sparks, open flames, and other sources of heat, avoid shock, rough handling, friction from grinding, etc. Isolated storage is required; keep away from possible contact with acids, alcohols, ethers, or other reducing agents or polymerization catalysts such as dimethylaniline.[6]
Do not store in the same area as other flammable materials. Protect containers against physical damage. Isolate in well-detached, fire-resistive, cool and well-ventilated building with no other materials stored therein; provide explosion venting in a safe direction and prohibit any electrical installation or heating facilities. Dibenzoyl peroxide should be stored in and used from original containers.[6]

Incompatibilities

Incompatible materials: Alcohols, metals.[6]
A reaction of ethylene, carbon tetrachloride and benzoyl peroxide caused an explosion.[6]
Benzoyl peroxide was weighted into a stainless steel beaker that had been rinsed previously with methyl methacrylate. The peroxide catalyzed polymerization of the methacrylate and the build-up of heat was sufficient to ignite the remainder of the peroxide.[6]
While a bottle of benzoyl peroxide was being opened, it exploded. Organic matter may have been entrapped in the threads of the bottle. When cap was unscrewed, friction caused explosion.[6]

Safety data sheets on the supplier’s page: Clinivex, abcr GmbH, Life Chemicals.

Always read the supplier’s safety data sheet before working with it.

Spectra

NMRHazardous Substances Data Bank (HSDB) · NMRShiftDB
1H NMRSpectraBase (BRUKER AC-300)
13C NMRSpectraBase
17O NMRSpectraBase
GC-MSNIST Mass Spectrometry Data Center · SpectraBase (GC/MS)
UVHazardous Substances Data Bank (HSDB)
IRHazardous Substances Data Bank (HSDB)
FTIRSpectraBase (KBr WAFER)
ATR-IRSpectraBase
RamanSpectraBase

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[10]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[11]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[12]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.