Product Name

  • Name

    flavaspidic acid

  • EINECS
  • CAS No. 114-42-1
  • Article Data2
  • CAS DataBase
  • Density 1.342g/cm3
  • Solubility
  • Melting Point 92°C
  • Formula C24H30 O8
  • Boiling Point 721.9°Cat760mmHg
  • Molecular Weight 446.497
  • Flash Point 404.3°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 114-42-1 (flavaspidic acid)
  • Hazard Symbols
  • Synonyms Butyrophenone,3'-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2',4',6'-trihydroxy-5'-methyl-(7CI,8CI); Phlorobutyrophenone,3'-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-5'-methyl-(6CI); Flavaspidic acid; Flavaspidic acid BB; NSC 115497
  • PSA 152.36000
  • LogP 4.23940

Flavaspidic acid Chemical Properties

Molecular Structure of Flavaspidic acid (CAS NO.114-42-1):


IUPAC: 2-Butanoyl-6-[(3-butanoyl-2,4,6-trihydroxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dien-1-one
Molecular Formula: C24H30O8
Molecular Weight: 446.4902
Product Categories: Drug / Therapeutic Agent
Density: 1.342 g/cm3
Melting Point: 156oC
Flash Point: 376.1oC
Boiling Point: 675.2oC at 760 mmHg
Index of Refraction: 1.62
Molar Volume: 332.5 cm3
Surface Tension: 64.7 dyne/cm
Enthalpy of Vaporization: 102.72 kJ/mol
Vapour Pressure: 7.53E-19 mmHg at 25oC
SMILES: CCCC(=O)c1c(c(c(c(c1O)CC2=C(C(C(=C(C2=O)C(=O)CCC)O)(C)C)O)O)C)O 
InChI: InChI=1/C24H30O8/c1-6-8-14(25)16-19(28)11(3)18(27)12(20(16)29)10-13-21(30)17(15(26)9-7-2)23(32)24(4,5)22(13)31/h27-29,31-32H,6-10H2,1-5H3
InChIKey: HNAIAJNEQWTLNE-UHFFFAOYAG 

Flavaspidic acid Toxicity Data With Reference

1.    

orl-mus LD50:690 mg/kg

     APTOA6    Acta Pharmacologica et Toxicologica. 25 (1967),33.
2.    

ivn-mus LD50:94 mg/kg

     JPMSAE    Journal of Pharmaceutical Sciences. 54 (1965),1362.

Flavaspidic acid Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.

Flavaspidic acid Specification

 Flavaspidic acid with cas registry number of 114-42-1 is also known as Flavaspidsaeure ; Glavaspidic acid ; Polystichocitrin ; Toxifren ; 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-((2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)- (9CI) ; 3'-((5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-5'-methylphloro butyrophenone ; Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-5'-methyl- . It is a compound with the appearance of orthorhombic crystals . Flavaspidic acid with cas registry number of 114-42-1 is used as a drug.

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