CAS 131-53-3 Dioxybenzone - Materials / Alfa Chemistry

NAVIGATION

Dioxybenzone

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Catalog Number

ACM131533-2

CAS Number

131-53-3

Product Name

Dioxybenzone

Category

Polymers

Description

2,2'-dihydroxy-4-methoxybenzophenone is a yellow powder. (NTP, 1992);DryPowder

IUPAC Name

(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone

Molecular Weight

244.24g/mol

Molecular Formula

C14H12O4

Canonical SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

InChI

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

Boiling Point

338 to 347 °F at 1 mm Hg (NTP, 1992)

Melting Point

68.0 °C;68 °C

Density

1.39 g/cu cm at 22.7 °C

Solubility

In water, 162 mg/L at 25 °C (est);Practically insoluble in water;Solubility in g/100 mL at 25 °C: ethanol 21.8; isopropanol 17; propylene glycol6.2; ethylene glycol 3.0; n-hexane 1.5;Freely soluble in alcohol, toluene

Application

Dioxybenzone serves as an effective ingredient in sunscreen formulations, designed to provide protection by absorbing harmful UVA and UVB rays. As an FDA-approved chemical, dioxybenzone not only safeguards the skin from UV damage but also helps prevent the degradation of products exposed to UV light, enhancing their stability and longevity. It functions as part of a broad-spectrum sunscreen solution, often used alongside other chemical agents like avobenzone, which collectively work to shield the skin from the sun's damaging effects. Dioxybenzone's solubility in various solvents and its particular physical properties enable its effective incorporation into sunscreen products at an approved usage level of up to 3 percent in the United States.

Color/Form

Yellow powder

Complexity

292

Covalently-Bonded Unit Count

EC Number

205-026-8

Exact Mass

244.073559g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 3.82 (est)

MeSH Entry Terms

dioxybenzone

Monoisotopic Mass

244.073559g/mol

NSC Number

756742;56769

Other Experimental

BP: 172 °C at 1 mm Hg;MP: 70.6-77.2 °C;When heated to decomposition it emits acrid smoke and irritating vapors.;Henry's Law constant = 1.97X10-9 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.01X10-10 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

B762XZ551X

Vapor Pressure

1.94X10-7 mm Hg at 25 °C (est)

XLogP3

3.3

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