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]-
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Names
[ CAS No. ]:
114-42-1
[ Name ]:
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]-
[Synonym ]:
Flavaspidsaeure
Flavaspidic acid
Polystichocitrin
Flavaspidic acid BB
flaspidic acid-BBBB
Toxifren
Glavaspidic acid
flavaspidic acid AB
Chemical & Physical Properties
[ Density]:
1.342g/cm3
[ Boiling Point ]:
721.9ºC at 760mmHg
[ Molecular Formula ]:
C24H30O8
[ Molecular Weight ]:
446.49000
[ Flash Point ]:
404.3ºC
[ Exact Mass ]:
446.19400
[ PSA ]:
152.36000
[ LogP ]:
4.23940
[ Vapour Pressure ]:
1.56E-21mmHg at 25°C
[ Index of Refraction ]:
1.62
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EU1400000
- CHEMICAL NAME :
- Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-c yclohexadien-1-yl) methyl)-2',4',6'-trihydroxy-5'-methyl-
- CAS REGISTRY NUMBER :
- 114-42-1
- BEILSTEIN REFERENCE NO. :
- 2068481
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C24-H30-O8
- MOLECULAR WEIGHT :
- 446.54
- WISWESSER LINE NOTATION :
- L6V DHJ BV3 CQ D1 D1 EQ F1R BQ DQ FQ C1 EV3
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 690 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 25,33,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 94 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 54,1362,1965
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 47,1,1902