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553-21-9

Name Costunolide
CAS 553-21-9
Molecular Formula C15H20O2
MDL Number MFCD00210262
Molecular Weight 232.32
MOL File 553-21-9.mol

Chemical Properties

Melting point  106-107 °C
Boiling point  385.4±42.0 °C(Predicted)
density  1.03±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: soluble10mg/mL (clear solution)
form  powder
color  white to beige
InChI InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
Contact allergens
This germacranolide sesquiterpene lactone is extracted from costus oil. With alantolactone and dehydrocostunolide, it is a component of lactone mix used to elicit reactions in patients sensitive to Asteraceae-Compositae. An erythema-multiform-like occupational contact dermatitis case occurred in a chemical student after an accidental exposure to costus oil.
InChIKey HRYLQFBHBWLLLL-GRFSRWIASA-N
SMILES O1C(=O)C(=C)[C@]2([H])CCC(C)=CCCC(C)=C[C@@]12[H] |t:10,15|
LogP 4.049 (est)
CAS DataBase Reference 553-21-9(CAS DataBase Reference)
NIST Chemistry Reference Germacra-1(10),4,11(13)-trien-12-oic acid, 6«alpha»-hydroxy-, «gamma»-lactone, (e,e)-(553-21-9)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  29322090

Hazard Information

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