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ISOVELLERAL Structure

ISOVELLERAL

Chemical Properties

Melting point 104.5-105 °C
Boiling point 322.8±35.0 °C(Predicted)
Density  1.211±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  H2O: insoluble
form  solid
color  white
Water Solubility  H2O: insoluble
organic solvents: soluble
InChI 1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1
InChIKey PJAAESPGJOSQGZ-DZGBDDFRSA-N
SMILES [H]C(=O)C1=C[C@]2([H])CC(C)(C)C[C@]2([H])[C@]3(C)C[C@@]13C([H])=O

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  GZ2245000
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

ISOVELLERAL Supplier