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Substance Name: Oxybenzone (dye)
RN: 26545-62-0
InChIKey: URXIQASIIAMGAI-UHFFFAOYSA-N

Note

  • Do not confuse with oxybenzone with MF: C14-H12-O3 & RN: 131-57-7; this cpd is a dye wthil the other is a sunscreening agent.

Molecular Formula

  • C34-H16-O4

Molecular Weight

  • 488.496
 
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Names and Synonyms

Name of Substance

  • Oxybenzone (dye)

Synonyms

  • Dihydroxy-5,10-violanthrenedione
  • Dihydroxydinaphtho(1,2,3-cd:3',2',1'-lm)perylene-5,10-dione
  • Dihydroxyviolanthrone
  • EINECS 247-786-3
  • Violanthrone, dihydroxy-

Systematic Names

  • 5,10-Violanthrenedione, 16,17-dihydroxy-
  • Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, dihydroxy-
  • Dihydroxyviolanthrene-5,10-dione

Registry Numbers

CAS Registry Number

  • 26545-62-0

System Generated Number

  • 0026545620

Structure Descriptors

InChI

1S/C34H16O4/c35-31-20-7-3-1-5-15(20)17-9-12-22-25-18(10-13-23(31)26(17)25)19-11-14-24-28-27(19)30(22)34(38)33(37)29(28)16-6-2-4-8-21(16)32(24)36/h1-14,37-38H

InChIKey

URXIQASIIAMGAI-UHFFFAOYSA-N

Smiles

c1(c2c3c4c(c1O)c1c5c(c4ccc3C(c3ccccc23)=O)ccc2c5c(c3c(C2=O)cccc3)cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 700mg/kg (700mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 78, 1986.
rat LD50 oral 2100mg/kg (2100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 78, 1986.