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537-42-8

Name Pterostilbene
CAS 537-42-8
EINECS(EC#) 611-041-4
Molecular Formula C16H16O3
MDL Number MFCD00238710
Molecular Weight 256.3
MOL File 537-42-8.mol

Chemical Properties

Melting point  89-92 ºC
Boiling point  420.4±35.0 °C(Predicted)
density  1.169±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: >20mg/mL
form  solid
pka 9.96±0.26(Predicted)
color  White or off-white
Odor Characteristic
λmax 321nm(MeOH)(lit.)
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 week.
InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
InChIKey VLEUZFDZJKSGMX-ONEGZZNKSA-N
SMILES C1(O)=CC=C(/C=C/C2=CC(OC)=CC(OC)=C2)C=C1
LogP 4.056 (est)

Safety Data

Hazard Codes  Xi,N
Risk Statements 
Safety Statements 
RIDADR  3077
WGK Germany  3
HazardClass  IRRITANT
PackingGroup 
HS Code  29095000

Hazard Information

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