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3569-10-6

Name VALERENIC ACID
CAS 3569-10-6
Molecular Formula C15H22O2
MDL Number MFCD00075694
Molecular Weight 234.33
MOL File 3569-10-6.mol
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Chemical Properties

Melting point  134-139°C
Boiling point  374.5±21.0 °C(Predicted)
density  1.06±0.1 g/cm3(Predicted)
storage temp.  −20°C
solubility  Chloroform (Slightly), Ethanol (Slightly),Methanol (Slightly)
form  neat
pka 4.88±0.19(Predicted)
color  White to Off-White
BRN  3138020
InChI InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
InChIKey FEBNTWHYQKGEIQ-SUKRRCERSA-N
SMILES C(O)(=O)/C(/C)=C/[C@@H]1CC[C@@H](C)[C@]2([H])C1=C(C)CC2
LogP 5.188 (est)
CAS DataBase Reference 3569-10-6(CAS DataBase Reference)

Safety Data

WGK Germany  3
RTECS  UD3357700
F  8-10
HS Code  2916205000

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