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92841

Supelco

Dioxybenzone

analytical standard

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Synonym(s):
2,2′-Dihydroxy-4-methoxybenzophenone, Benzophenone-8, Dioxybenzone
Linear Formula:
CH3OC6H3(OH)COC6H4OH
CAS Number:
131-53-3
Molecular Weight:
244.24
EC Number:
205-026-8
MDL number:
MFCD00002218
PubChem Substance ID:
329770181
NACRES:
NA.24

grade

analytical standard

Quality Level

100

Assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

170-175 °C/1 mmHg (lit.)

mp

72-74 °C
73-75 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

SMILES string

COc1ccc(c(O)c1)C(=O)c2ccccc2O

InChI

1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3

InChI key

MEZZCSHVIGVWFI-UHFFFAOYSA-N

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General description

Dioxybenzone belongs to the class of organic UV filters, which find wide application in personal care products and food packaging materials. These filters are prevalently employed as active ingredients in sunscreen formulations due to their ability to emit and/or absorb UVA and UVB radiations. Owing to their ubiquitous use and discharge into the environment, they are identified as common environmental pollutants.
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Application

Dioxybenzone may be used as an analytical standard for the determination of the analyte in animal samples, artificial seawater samples, fresh and saline waters by various chromatographic techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Ion Mobility: TWCCSN2 value of 149.3 Å2 [M+H]+, 166.1 Å2 [M+Na]+ and 151.1 Å2 [M-H]-

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

TWCCS measurements are expected to be within 2% of this reference value.

P/N 92841 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315 - H319 - H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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Tarek Manasfi et al.
International journal of hygiene and environmental health, 222(4), 663-669 (2019-04-21)
The mutagenicity of four organic UV filters namely oxybenzone (benzophenone-3), dioxybenzone (benzophenone-8), avobenzone, and octyl methoxycinnamate, in chlorinated bromide-rich water (artificial seawater) was investigated. Mutagenicity was evaluated using Ames test in Salmonella typhimurium TA98 without S9 mix. Chemical analysis using
I M Abdel-Nabi et al.
Journal of applied toxicology : JAT, 12(4), 255-259 (1992-08-01)
A precise, accurate, selective and sensitive liquid chromatographic method for the determination of benzophenone-3 in rat biological fluids and different tissues has been developed. The minimum detection limit for benzophenone-3 was 2.0 ng ml-1 and the retention time was 6.01
Sukyoung Heo et al.
Carbohydrate polymers, 195, 534-541 (2018-05-29)
Sunscreen materials have been developed to protect skin from UV radiation. However, many organic sunscreen materials are small molecules and absorbed into human skin after topical application and lead to systemic side effects. To improve the adverse effects of conventional
Determination of seven commonly used organic UV filters in fresh and saline waters by liquid chromatography-tandem mass spectrometry
Bratkovics S and Sapozhnikova Y
Analytical Methods : Advancing Methods and Applications, 3(12), 2943-2950 (2011)
Wen Luo et al.
Journal of enzyme inhibition and medicinal chemistry, 26(5), 706-711 (2011-01-22)
A novel series of N,N'-bis-methylenedioxybenzyl-alkylenediamines 5a-5g have been designed, synthesized and evaluated as bivalent anti-Alzheimer's disease ligands. The enzyme inhibition assay results indicated that compounds 5e-5g inhibit both acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) in the micromolar range (IC(50), 2.76-4.24 µM
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