Identification Chemical Properties Safety Data Hazard Information Material Safety Data Sheet(MSDS) Spectrum Detail Supplier Related Products

546-43-0

Name Alantolactone
CAS 546-43-0
EINECS(EC#) 208-899-3
Molecular Formula C3H5NO2
MDL Number MFCD00046915
Molecular Weight 87.08
MOL File 546-43-0.mol

Chemical Properties

Melting point  78-79 C
alpha  D +175° (chloroform)
Boiling point  275 C
density  1.0610 (rough estimate)
refractive index  1.4360 (estimate)
storage temp.  ?20°C
solubility  DMSO: soluble15mg/mL (clear solution)
form  powder
color  white to beige
Odor Peculiar sweet-minty, slightly woody odor
InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
Contact allergens
The allergen eudesmanolide sesquiterpene lactone was isolated from elecampane (Inula helenium L.). With dehydrocostuslactone and costunolide, it is a component of the (sesquiterpene) lactone mix used to detect sensitization to Compositae-Asteraceae.
InChIKey PXOYOCNNSUAQNS-AGNJHWRGSA-N
SMILES O1C(=O)C(=C)[C@@]2([H])C=C3[C@@](C)(C[C@@]12[H])CCC[C@@H]3C
LogP 3.380
CAS DataBase Reference 546-43-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HS Code  29322090

Hazard Information

Material Safety Data Sheet(MSDS)

Supplier