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EC number: 931-299-4
CAS number: 68390-94-3
Constituents of the substance contain long alkyl chains. Even in the
case of the shortest chains (C16 -C16), the number of -CH2- instances
(30) significantly exceeds the maximum number of those instances in the
training set molecules (14). As a result, for all 3 constituents the
minimum solubility value (log S = -12.00) is applied. Differences in the
water solubility values in mg/L given above are resulting from
differences in molecular weights.
Melting point was not used as
descriptor. The appropriate equation was used.
<0.001 g/L The results of the previously carried out QSAR calculations clearly indicate that the substance is very insoluble in water (QSAR, EPI Suite v4.11, WSKOWWIN v1.42)
The water solubility of the substance Amides, C18, branched and linear
was determined by flask method according to EU Method A.6.
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