Dioxybenzone

C₁₄H₁₂O₄CAS 131-53-3244.25 g/mol

Open in Covalent MOL file

Ether Ketone Phenol

Properties

Molecular formula: C₁₄H₁₂O₄
Molar mass: 244.25 g/mol
Exact mass: 244.0736 Da
Density: 1.39 g/mL (at 22.7 °C)
Melting point: 68 °C
Boiling point: 170–175 °C (at 1 Torr)
Water solubility: practically insoluble
logP: 2.34Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation84.3% of notifiers
H319 Causes serious eye irritation84.3% of notifiers
H335 May cause respiratory irritation80.4% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

131-53-3

SMILES

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

InChIKey

MEZZCSHVIGVWFI-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

19 names · show all

Methanone, (2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-
Benzophenone, 2,2′-dihydroxy-4-methoxy-
(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone
Cyasorb UV 24
Cyasorb UV 24 light absorber
2,2′-Dihydroxy-4-methoxybenzophenone
Spectra-sorb UV 24
Advastab 47
UF 2
UV 24
Dioxybenzon
Benzophenone 8
NSC 56769
Kemisorb 111
4-Methoxy-2,2′-dihydroxybenzophenone
DMB
Eversorb 52
BP 8
2,2'-Dihydroxy-4-methoxybenzophenone

Work with Dioxybenzone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-485 % similar Oxybenzone131-57-776 % similar Mexenone1641-17-464 % similar 4-Methoxysalicylic acid2237-36-763 % similar Paeonol552-41-062 % similar 2,2′-Dihydroxybenzophenone835-11-061 % similar Methyl 4-methoxysalicylate5446-02-660 % similar 2-Hydroxy-4-methoxybenzamide6745-77-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Piceatannol10083-24-6 Dimethyl 2,3-naphthalenedicarboxylate13728-34-2 4-(5-Formyl-2-furanyl)benzoic acid ethyl ester19247-87-1 2,6-Naphthalenediol diacetate22426-47-7 trans-2,3',4,5'-Tetrahydroxystilbene29700-22-9 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-3

Elsewhere

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