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Substance Name: Avobenzone [USAN:USP:INN]
RN: 70356-09-1
UNII: G63QQF2NOX
InChIKey: XNEFYCZVKIDDMS-UHFFFAOYSA-N

Note

  • Causes allergic or photoallergic contact dermatitis.

Molecular Formula

  • C20-H22-O3

Molecular Weight

  • 310.3908
 

Classification Codes

  • Cosmetics
  • Dermatologic Agents
  • Protective Agents
  • Radiation-Protective Agents
  • Sunscreen
  • Sunscreening Agents
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Names and Synonyms

Name of Substance

  • 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedi- one
  • Avobenzone
  • Avobenzone [USAN:USP:INN]
  • Butyl methoxydibenzoylmethane

Synonyms

  • 1,3-Propanedione, 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)-
  • 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedione
  • 1-(p-tert-Butylphenyl)-3-(p-methoxyphenyl)-1,3-propanedione
  • Avobenzona
  • Avobenzona [INN-Spanish]
  • Avobenzone
  • Avobenzonum
  • Avobenzonum [INN-Latin]
  • EC 274-581-6
  • EINECS 274-581-6
  • HSDB 7423
  • Parsol 1789
  • UNII-G63QQF2NOX

Systematic Names

  • 1,3-Propanedione, 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)-
  • 1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione

Mixture Names

  • Anthelios SX
  • Capital Soleil
  • Photoplex

Registry Numbers

CAS Registry Number

  • 70356-09-1

FDA UNII

  • G63QQF2NOX

Other Registry Numbers

  • 112725-59-4
  • 185160-18-3
  • 87075-14-7

System Generated Number

  • 0070356091

Structure Descriptors

InChI

1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3

InChIKey

XNEFYCZVKIDDMS-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83.5 deg C   EXP
log P (octanol-water) 4.510 (none)   EST
Atmospheric OH Rate Constant 2.54E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.