Benzophenone-5Product ingredient for Sulisobenzone

Name
Benzophenone-5
Drug Entry
Sulisobenzone

Sulisobenzone is approved by the FDA in concentrations of up to 10% and in Canada, is approved by Health Canada at the same concentrations 14. It works to filter out both UVA and UVB rays, protecting the skin from sun UV damage 8.

The UV-filter substance, sulisobenzone (BP-4) is widely used an ingredient in sunscreens and other personal care products 1, 10. It falls under the drug category of benzophenones. The benzophenones are a group of aromatic ketones that have both pharmaceutical and industrial applications 13. Benzophenones may be found organically in fruits such as grapes 11.

Benzophenones are used as photoinitiators, fragrance enhancers, ultraviolet curing agents, and, occasionally, as flavor ingredients; they are also used in the manufacture of insecticides, agricultural chemicals, and pharmaceuticals and as an additive for plastics, coatings, and adhesives 12.

As a group, benzophenones may be used to delay photodegradation or extend shelf life in toiletries and plastic surface coatings 13.

Accession Number
DBSALT002279
Structure
Synonyms
Benzophenone 5 / Sodium 2-hydroxy-4-methoxybenzophenone-5-sulphonate / Sodium 5-benzoyl-4-hydroxy-2-methoxybenzenesulphonate / Sodium benzophenone-2-hydroxy-4-methoxy-5-sulfonate / Sodium benzophenone-2-hydroxy-4-methoxy-5-sulphonate / Sulisobenzone sodium
UNII
853Z42ZYAS
CAS Number
6628-37-1
Weight
Average: 330.29
Monoisotopic: 330.01740353
Chemical Formula
C14H11NaO6S
InChI Key
KJCLYACXIWMFCC-UHFFFAOYSA-M
InChI
InChI=1S/C14H12O6S.Na/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;/h2-8,15H,1H3,(H,17,18,19);/q;+1/p-1
IUPAC Name
sodium 5-benzoyl-4-hydroxy-2-methoxybenzene-1-sulfonate
SMILES
[Na+].COC1=CC(O)=C(C=C1S([O-])(=O)=O)C(=O)C1=CC=CC=C1
ChemSpider
4957574
Wikipedia
Sulisobenzone
Predicted Properties
PropertyValueSource
Water Solubility0.229 mg/mLALOGPS
logP2.33ALOGPS
logP2.8Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)-2.4Chemaxon
pKa (Strongest Basic)-5Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area103.73 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity74.58 m3·mol-1Chemaxon
Polarizability28.73 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon