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09649

Sigma-Aldrich

5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid

≥97.0% (HPLC)

Synonym(s):

HMBS, Sulisobenzone

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About This Item

Empirical Formula (Hill Notation):
C14H12O6S
CAS Number:
4065-45-6
Molecular Weight:
308.31
Beilstein:
2889165
EC Number:
223-772-2
MDL number:
MFCD00024962
UNSPSC Code:
12352100
PubChem Substance ID:
329748781
NACRES:
NA.22

Assay

≥97.0% (HPLC)

form

powder

impurities

≤10% water

functional group

ketone
phenyl
sulfonic acid

SMILES string

COc1cc(O)c(cc1S(O)(=O)=O)C(=O)c2ccccc2

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

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Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

No data available

Flash Point(C)

No data available

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000237737
0000208715
0000199111
0000207070

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T Merion Hughes et al.
Contact dermatitis, 56(3), 153-156 (2007-02-14)
Chemical ultraviolet (UV) filters have, over the last few decades, been increasingly used not only in conventional sunscreen products but also in many cosmetics and toiletries. Allergic contact dermatitis as well as photoallergic contact dermatitis reactions have been well documented
B K Shoichet et al.
Science (New York, N.Y.), 259(5100), 1445-1450 (1993-03-05)
A molecular docking computer program (DOCK) was used to screen the Fine Chemical Directory, a database of commercially available compounds, for molecules that are complementary to thymidylate synthase (TS), a chemotherapeutic target. Besides retrieving the substrate and several known inhibitors
N Negreira et al.
Analytica chimica acta, 743, 101-110 (2012-08-14)
The stability of the UV filter benzophenone-4 (BP-4) in free chlorine-containing water was investigated, for the first time, by liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QqTOF-MS). High mass accuracy and resolution capabilities of this hybrid mass spectrometer were used for
M Jarratt et al.
Journal of the American Academy of Dermatology, 9(3), 354-360 (1983-09-01)
A PABA ester-oxybenzone preparation is superior to PABA or sulisobenzone alone in protecting the skin from methoxsalen-induced ultraviolet A (UVA) phototoxicity after water substantivity challenge. Such a mixture would be useful as a UVA screen for uninvolved or actinically damaged
S M Edwards et al.
Photodermatology, photoimmunology & photomedicine, 10(3), 111-117 (1994-06-01)
The ability to accurately predict the phototoxic potential of personal and skin care products remains a key element in assessing the safety of premarketed products. To find a reliable in vitro alternative test for photoirritancy, the European Commission and the
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