What is the molecular formula of Benzoyl peroxide?

Benzoyl peroxide has a molecular formula of C 14 H 10 O 4

What is the InChI Key of Benzoyl peroxide molecule?

The InChI Key of Benzoyl peroxide is: OMPJBNCRMGITSC-UHFFFAOYSA-N.

What is the molecular weight of Benzoyl peroxide?

Benzoyl peroxide presents a molecular weight of 242.227 g/mol.

Benzoyl peroxide

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Benzoyl peroxide are summarized together with 3D and 2D structures and relevant physico-chemical properties.

Table of Contents

1. What is Benzoyl peroxide?
2. 3D Structure
3. Cartesian coordinates
4. 2D Drawing
5. Molecule descriptors
6. Physico-Chemical properties

What is the Benzoyl peroxide?

The molecule Benzoyl peroxide presents a molecular formula of C₁₄H₁₀O₄ and its IUPAC name is benzoyl benzenecarboperoxoate.

Benzoyl peroxide is a molecule used in a variety of cosmetics and skincare products. It is an organic compound that lies as a peroxide, and is used as a bleaching agent and an antiseptic. Benzoyl peroxide is a white powder that is insoluble in water, and has a strong, pungent odor. It is a powerful oxidizing agent, and is used in a variety of industrial and commercial applications. Benzoyl peroxide is used in the production of a variety of chemicals, including dyes, plastics, and resins. It is also used as a bleaching agent in the textile industry, and as a disinfectant in the food industry. In the cosmetics industry, benzoyl peroxide is used in a variety of skincare products, including acne treatments, bleaching creams, and anti-aging products. It is also used as a hair bleaching agent..

3D structure

Cartesian coordinates

Geometry of Benzoyl peroxide in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

Benzoyl peroxide OMPJBNCRMGITSC-UHFFFAOYSA-N chemical compound 2D structure molecule svg — Benzoyl peroxide

Molecule descriptors

IUPAC name	benzoyl benzenecarboperoxoate
InChI code	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
SMILES	O=C(OOC(=O)c1ccccc1)c1ccccc1

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

2685-64-5
94-36-0
A844933
AB01562988_01
ACANYA COMPONENT BENZOYL PEROXIDE
Abcat 40
Abcure S-40-25
AcetOxyl 2.5 and 5
Acetoxyl
Acne-Aid Cream
Acnegel
Akneroxid 5
Akneroxid L
Akneroxide L
Aksil 5
Anhydrous benzoyl peroxide
Asidopan
Aztec BPO
Aztec benzoyl peroxide-70-77
Aztec benzoyl peroxide-dry
B 75W
B3152
BBPO
BENZACLIN COMPONENT BENZOYL PEROXIDE
BENZAMYCIN COMPONENT BENZOYL PEROXIDE
BENZOYL DIOXIDE
BENZOYL PEROXIDE
BENZOYL PEROXIDE (WET)
BENZOYL PEROXIDE COMPONENT OF ACANYA
BENZOYL PEROXIDE COMPONENT OF BENZACLIN
BENZOYL PEROXIDE COMPONENT OF BENZAMYCIN
BENZOYL PEROXIDE COMPONENT OF DUAC
BENZOYL PEROXIDE COMPONENT OF EPIDUO
BENZOYL PEROXIDE COMPONENT OF TWYNEO
BIDD:GT0840
BP-21236
BPO
BR1012
BZF-60
Benbel C
Benox 50
Benoxyl
Benoxyl (5&10) Lotion
Benprox
Benzac
Benzac W
Benzagel
Benzagel 10
Benzaknen
Benzaknew
Benzashave
Benzefoam
Benzoic acid, peroxide
Benzol peroxide
Benzoperoxide
Benzoyl
Benzoyl Peroxide [1]
Benzoyl Peroxide [2]
Benzoyl Peroxide [3]
Benzoyl Peroxide [4]
Benzoyl Peroxide [5]
Benzoyl Peroxide [6]
Benzoyl Peroxide [7]
Benzoyl Peroxide [8]
Benzoyl Peroxide [9]
Benzoyl peroide
Benzoyl peroxide
Benzoyl peroxide (JAN/USP)
Benzoyl peroxide (Luperox(R) A70S)
Benzoyl peroxide (Luperox(R) A75)
Benzoyl peroxide (Luperox(R) A75FP)
Benzoyl peroxide (Luperox(R) A98)
Benzoyl peroxide (usan)
Benzoyl peroxide anhydrous
Benzoyl peroxide gel
Benzoyl peroxide(usan)
Benzoyl peroxide, USAN
Benzoyl peroxide, blend in dibutyl phthalate
Benzoyl peroxide, blend in tricresyl phosphate
Benzoyl peroxide, remainder water
Benzoyl peroxyde
Benzoyl superoxide
Benzoylis peroxidum cum aqua
Benzoylperoxid
Benzoylperoxid (german)
Benzoylperoxyde
Bepio
Bisbenzoyl peroxide
Brevoxyl
BzOOBz
C19346
CCG-213090
CCRIS 630
Cadat BPO
Cadet
Cadet BPO 78W
Cadet BPO-70W
Cadox 40E
Cadox B
Cadox B 40E
Cadox B 50P
Cadox B 70W
Cadox B-CH 50
Cadox BPO-W40
Cadox BTA
Cadox BTW-50
Cadox bs
Clear By Design
Clearasil Antibacterial Acne Lotion
Clearasil BP Acne Treatment Cream
Clearasil benzoyl peroxide lotion
Clearasil bp acne treatment
Cuticura acne cream
Chaloxyd BP 50FT
D03093
DB-022598
DB09096
DSSTox_CID_1072
DSSTox_GSID_24591
DSSTox_RID_77460
DUAC COMPONENT BENZOYL PEROXIDE
Debroxide
Dermoxyl
Desanden
Desquam E
Desquam X
Desquam-X
Dibenzoyl peroxide
Dibenzoylperoxid
Dibenzoylperoxid (german)
Dibenzoylperoxyde
Diphenylglyoxal Superoxide
Diphenylglyoxal peroxide
Diphenylperoxyanhydride
Diphenylperoxyanhydride #
Dry and Clear
Duresthin 5
E-928
E928
EC 202-327-6
EPIDUO COMPONENT BENZOYL PEROXIDE
EPSOLAY
Eloxyl
Epi Clear Antiseptic Lotion
Epi-Clear
F0001-2260
Florox
Fostex BPO
Fostex BPO Bar, Gel, and Wash
G 20
Garox
HMS2092F22
HSDB 372
Hydrous benzoyl peroxide
IDP-126 component Benzoyl peroxide
Incidol
Ins no.928
Ins-928
Lavoclen
Loroxide
Lucidol
Lucidol (peroxide)
Lucidol 50P
Lucidol 70
Lucidol 75FP
Lucidol 78
Lucidol B 50
Lucidol G 20
Lucidol GS
Lucidol KL 50
Lucidol RM
Lucidol-70
Lucidol-78
Lucilite
Lucipal
Luperco A
Luperco AA
Luperco AC
Luperco AFR
Luperco AFR-250
Luperco AST
Luperox A98
Luperox fl
Luzidol
MFCD00003071
MLS000028899
Mixture of dibenzoyl peroxide and calcium sulfate
Mixture of dibenzoyl peroxide and calcium sulphate
Mytolac
NA 2085 (DOT)
NCGC00159380-02
NCGC00159380-03
NCGC00159380-04
NCGC00159380-05
NSC 671
NSC 675
NSC-671
NSC-675
NSC-758205
NSC671
NSC675
NSC758205
Nayper B and bo
Nayper BO
Neobenz micro
Nericur
Norox bzp-250
Norox bzp-C-35
Novadeiox
Novadelox
Nyper B
Nyper BMT
OXY WASH
OXY-10
Oxy 5
Oxy-10 Cover
Oxy-5
Oxy-L
Oxylite
Pacnex
Panoxyl
Periygel
Perkadox 20S
Perossido di benzoile
Peroxide, Benzoyl
Peroxide, dibenzoyl
Peroxyde de benzoyle
Peroxyderm
Peroxydex
Peroxyl
Persa-Gel
Persadox
Pharmakon1600-01503004
Preoxydex
Presadox
Q411424
Quinolor compound
Resdan Akne
SBI-0206719.P001
SC10147
SMR000058568
SR-05000001817
SR-05000001817-1
Sanoxit
Silica hydrogel
Stri-dex B.P
Stri-dex B.P.
Superox
Superox 744
Superoxide, Benzoyl
Superoxide, Diphenylglyoxal
TRIAZ;Dibenzoyl peroxide
TWYNEO COMPONENT BENZOYL PEROXIDE
Theraderm
Thermaderm
Topex
Triaz
UN 2085 (DOT)
UN 2086
UN 2088
Vanoxide
W 75
W9WZN9A0GM
WLN: RVOOVR
Xerac
Xerac BP
Xerac BP 10
Xerac BP 5
benzenecarboperoxoic acid benzoyl ester
benzoic peroxyanhydride
benzoyl benzenecarboperoxoate
benzoyl-peroxide
benzoylperoxide
bezoyl peroxide
bis benzoylperoxide
component of Oxy-5
component of Vanoxide
di-benzoyl peroxide
di-benzoylperoxide
dibenzoy lperoxide
dibenzoyl peroxyde
dibenzoyl-peroxide
dibenzoylperoxide
pHisoAc BP
phenylcarbonyl benzenecarboperoxoate

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

ZINC1016
CAS-94-36-0
UNII-W9WZN9A0GM
AKOS000120600
BRD-K59986511-001-02-3
DTXSID6024591
CHEMBL1200370
CHEBI:82405
Tox21_111619
Tox21_111619_1
EINECS 202-327-6
SCHEMBL63

Physico-Chemical properties

IUPAC name	benzoyl benzenecarboperoxoate
Molecular formula	C₁₄H₁₀O₄
Molecular weight	242.227
Melting point (ºC)
Boiling point (ºC)
Density (g/cm³)
Molar refractivity	63.72
LogP	2.6
Topological polar surface area	52.6

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(K_ow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å² are required. Thus, molecules with a polar surface area greater than 140 Å² tend to be poorly permeable to cell membranes.