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20554-84-1

Name Parthenolide
CAS 20554-84-1
EINECS(EC#) 1592732-453-0
Molecular Formula C15H20O3
MDL Number MFCD00134592
Molecular Weight 248.32
MOL File 20554-84-1.mol

Chemical Properties

Melting point  115-116 °C(lit.)
alpha  D20 -81.4° (c = 1.04 in chloroform); D22 -71.4° (c = 0.220 in CH2Cl2)
Boiling point  394.1±42.0 °C(Predicted)
density  1.13±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Soluble in DMSO (up to 100 mg/ml) or in Ethanol (up to 20 mg/ml)
form  White solid
color  White
Merck  14,7048
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months.
InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1
Contact allergens
Parthenolide is a sesquiterpene lactone found Asteraceae- Compositae such as feverfew (Tanacetum parthenium Schultz-Bip.) or congress grass (Parthenium hysterophorus L.).
InChIKey KTEXNACQROZXEV-PVLRGYAZSA-N
SMILES O1C(=O)C(=C)[C@]2([H])CCC(C)=CCC[C@@]3(C)O[C@]3([H])[C@@]12[H] |t:10|
LogP 2.424 (est)
CAS DataBase Reference 20554-84-1

Safety Data

Hazard Codes  Xi,C,F
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  LY4220000
HS Code  29322090

Hazard Information

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