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92841

Supelco

Dioxybenzone

analytical standard

Synonym(s):

2,2′-Dihydroxy-4-methoxybenzophenone, Benzophenone-8, Dioxybenzone

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About This Item

Linear Formula:
CH3OC6H3(OH)COC6H4OH
CAS Number:
Molecular Weight:
244.24
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

Signal Word

Warning

Hazard Statements

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


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Certificates of Analysis (COA)

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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
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
Stephen E Duirk et al.
Water research, 47(2), 579-587 (2012-11-22)
The transformation of two benzophenone UV filters (Oxybenzone and Dioxybenzone) was examined over the pH range 6-11 in the presence of excess aqueous chlorine. Under these conditions, both UV filters were rapidly transformed by aqueous chlorine just above circumneutral pH
Vaughn F Sherwood et al.
Cutaneous and ocular toxicology, 31(4), 273-279 (2012-01-20)
Sunscreens are widely utilized due to the adverse effects of ultraviolet (UV) radiation on human health. The safety of their active ingredients as well as that of any modified versions generated during use is thus of concern. Chlorine is used
N Negreira et al.
Analytica chimica acta, 638(1), 36-44 (2009-03-21)
A sensitive procedure for the determination of three UV filters: ethylhexyl salicylate (EHS), 3,3,5-trimethylcyclohexyl salicylate (Homosalate, HMS), 2-hydroxy-4-methoxybenzophenone (BP-3) and two related hydroxylated benzophenones (2,4-dihydroxybenzophenone, BP-1 and 2,2'-dihydroxy-4-methoxybenzophenone, BP-8) in water samples is presented. Analytes were first concentrated on the

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