1619-16-5

Name HYDROXYVALERENIC ACID
CAS 1619-16-5
Molecular Formula C15H22O3
MDL Number MFCD00189426
Molecular Weight 250.33
MOL File 1619-16-5.mol
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Chemical Properties

Melting point  164,5-165,5°C
Boiling point  426.0±40.0 °C(Predicted)
density  1.14±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethanol (Slightly)
form  neat
pka 4.88±0.19(Predicted)
color  White to Off-White
BRN  2981421
Major Application food and beverages
InChI 1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1
InChIKey XJNQXTISSHEQKD-UNXUOHHUSA-N
SMILES C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](O)[C@H]12
LogP 3.293 (est)

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

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