Alantolactone Structure

Alantolactone

Chemical Properties

Melting point 78-79 C
Boiling point 275 C
alpha  D +175° (chloroform)
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
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)
EWG's Food Scores 1
FDA UNII M7GSN5Q1M6
UNSPSC Code 51111800
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H317
Precautionary statements P261-P272-P280-P333+P313-P362+P364-P501
Hazard Codes  Xi
Risk Statements  36/37/38-43
Safety Statements  26-36-36/37-24/25
WGK Germany  3
HS Code  29322090
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

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