4065-45-6
Product Name:
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid
Formula:
C14H12O6S
Synonyms:
5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid;HMBS;Sulisobenzone
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Light tan solid; [Merck Index] |
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Color/Form | Light-tan powder |
Melting Point | 145 |
Solubility | 10 microgram/mL |
Stability/Shelf Life | Stable under recommended storage conditions. |
Decomposition | When heated to decomposition it emits toxic vapors of /sulfur oxides/. |
Dissociation Constants | pKa1 = -2.4 (sulfonic acid); pKa2 = 7.6 (hydroxyl) |
Collision Cross Section | 167.11 Ų [M+H]+ 184.79 Ų [M+Na]+ 168.59 Ų [M-H]- |
Chemical Classes | Other Uses -> Sunscreens |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 308.31 g/mol |
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XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Exact Mass | 308.03545927 g/mol |
Monoisotopic Mass | 308.03545927 g/mol |
Topological Polar Surface Area | 109 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 462 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Sulisobenzone is a member of benzophenones. lt is used as a sunscreen in various products including moisturizers, nail polishes, lipsticks, lip balms, textiles, plastics and paints.