5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid - CAS 4065-45-6
Catalog: |
BB024607 |
Product Name: |
5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid |
CAS: |
4065-45-6 |
Synonyms: |
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid |
Application: |
Used in the preparation of sunscreen agents. |
IUPAC Name: | 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid |
Description: | Sulisobenzoneis a UV filter which protects the skin from damage by UVB and short-wave UVA ultraviolet light. |
Molecular Weight: | 308.31 |
Molecular Formula: | C14H12O6S |
Canonical SMILES: | COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O |
InChI: | InChI=1S/C14H12O6S/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) |
InChI Key: | CXVGEDCSTKKODG-UHFFFAOYSA-N |
Boiling Point: | 0 °C |
Melting Point: | 183-186 °C |
Purity: | > 98 % |
Density: | 1.449 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | White to off-white solid |
Storage: | Store at 2-8 °C |
Decomposition: | When heated to decomposition it emits toxic vapors of /sulfur oxides |
MDL: | MFCD00024962 |
LogP: | 2.95930 |
Quality Standard: | Enterprise Standard |
pH: | 1.2-2.2 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 1.3X10-11 mm Hg at 25 °C (est) |
GHS Hazard Statement: | H315 (94.39%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
DE-202021002752-U1 | Functionalized pieces of ice | 20210824 |
CN-113368024-A | Skin energy cream and preparation method thereof | 20210625 |
CN-113249483-A | Gene combination, system and application for detecting tumor mutation load | 20210610 |
CN-113249483-B | Gene combination, system and application for detecting tumor mutation load | 20210610 |
CN-113355915-A | Preparation method of breathable fabric with anti-ultraviolet function | 20210610 |
PMID | Publication Date | Title | Journal |
26016852 | 20150801 | Phototoxic Risk Assessments on Benzophenone Derivatives: Photobiochemical Assessments and Dermal Cassette-Dosing Pharmacokinetic Study | The Journal of pharmacology and experimental therapeutics |
24407064 | 20140101 | Benzophenones | Dermatitis : contact, atopic, occupational, drug |
23815618 | 20130702 | Biotransformation of the UV-filter sulisobenzone: challenges for the identification of transformation products | Environmental science & technology |
22967656 | 20120915 | Multi-class determination of personal care products and pharmaceuticals in environmental and wastewater samples by ultra-high performance liquid-chromatography-tandem mass spectrometry | Talanta |
22189380 | 20120301 | Emerging pollutants in sewage, surface and drinking water in Galicia (NW Spain) | Chemosphere |
Complexity: | 462 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.03545927 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.03545927 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 109 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Sulfur Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS