Calcium levulinate dihydrate Structure

Calcium levulinate dihydrate

Chemical Properties

Melting point 121.0 to 125.0 °C
storage temp.  Store at room temperature
solubility  Freely soluble in water, very slightly soluble in ethanol (96 per cent), practically insoluble in methylene chloride.
Merck  14,1679
BRN  3764203
Major Application pharmaceutical (small molecule)
InChI InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2
InChIKey APKDPOQXVKRLEP-UHFFFAOYSA-L
SMILES C(=O)(O[Ca]OC(=O)CCC(=O)C)CCC(=O)C
LogP -0.490 (est)
FDA UNII T6133SO781
UNSPSC Code 41116107
NACRES NA.24

Safety

WGK Germany  3
RTECS  SA4000000
HS Code  2918300000
Storage Class 11 - Combustible Solids

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