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Substance Name: Cyclovalone [INN]
RN: 579-23-7
UNII: 6M4YJ3FA16
InChIKey: DHKKONBXGAAFTB-UHFFFAOYSA-N

Molecular Formula

  • C22-H22-O5

Molecular Weight

  • 366.4108
 
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Names and Synonyms

Name of Substance

  • Cyclovalone [INN]
  • Cyqualon

Synonyms

  • 2,6-Bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone
  • 2,6-Divanillidenecyclohexanone
  • 2,6-Divanillylidenecyclohexanone
  • 4-08-00-03586 (Beilstein Handbook Reference)
  • AI3-26016
  • Beveno
  • BRN 2019082
  • Ciclovalona
  • Ciclovalona [INN-Spanish]
  • Curcumoid
  • Cyclohexanone, 2,6-vanillylidene-
  • Cyclovalon
  • Cyclovalone
  • Cyclovalonum
  • Cyclovalonum [INN-Latin]
  • Cycvalon
  • Cyqualon
  • Divanil
  • Divanillalcyclohexanone
  • Divanon
  • DVC
  • EINECS 209-438-9
  • Flavugal
  • NSC 26727
  • Tsikvalon
  • UNII-6M4YJ3FA16
  • Vanidene
  • Vanilone

Systematic Names

  • 2,6-Bis((4-hydroxy-3-methoxyphenyl)methylene)cyclohexanone
  • 2,6-Divanillylidenecyclohexanone
  • Cyclohexanone, 2,6-bis((4-hydroxy-3-methoxyphenyl)methylene)- (9CI)
  • Cyclohexanone, 2,6-divanillylidene- (8CI)
  • Cyclohexanone, 2,6-vanillylidene-
  • Cyclovalone

Registry Numbers

CAS Registry Number

  • 579-23-7

FDA UNII

  • 6M4YJ3FA16

System Generated Number

  • 0000579237

Structure Descriptors

InChI

1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3

InChIKey

DHKKONBXGAAFTB-UHFFFAOYSA-N

Smiles

COc1cc(C=C2CCCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04774,
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 178.5 deg C   EXP
log P (octanol-water) 4.180 (none)   EST
Atmospheric OH Rate Constant 1.21E-10 cm3/molecule-sec 25 EST

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