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

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Dioxybenzone

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Catalog Number

ACM131533-2

Product Name

Dioxybenzone

Structure

CAS

131-53-3

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

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

MSDS

Download MSDS

COA