1891-29-8

Name LACTUCIN
CAS 1891-29-8
Molecular Formula C15H16O5
MDL Number MFCD24849263
Molecular Weight 276.28
MOL File 1891-29-8.mol

Chemical Properties

Melting point  228-233°
alpha  D +49° (c = 0.90 in methanol), +77.9° (c = 3.44 in pyridine)
Boiling point  575.6±50.0 °C(Predicted)
density  1.39±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  solid
pka 13.53±0.60(Predicted)
InChI 1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12+,13-,14-/m0/s1
Contact allergens
Lactucin, as lactucopicrin, is a sesquiterpene lactone contained in lettuce (Lactuca sativa L.)
InChIKey VJQAFLAZRVKAKM-VZLIPTOUSA-N
SMILES O1[C@H]2[C@@H]([C@H](CC(=C3[C@@H]2C(=CC3=O)CO)C)O)C(=C)C1=O
LogP 0.330 (est)
CAS DataBase Reference 1891-29-8

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317
Precautionary statements  P280-P302+P352
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

Hazard Information

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