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EC number: 607-759-2
CAS number: 25618-55-7
The adsorption potential of the substance is low.
Since no study is available for assessing the
adsorption/desorption potential of 1,2,3-Propanetriol,
homopolymer (CAS 25618-55-7), in accordance to
Regulation (EC) No. 1907/2006 Annex XI, 1.5 Grouping
of substances, data from a structurally related
substance was used supported by QSAR calculations for
the main components of the substance. Further
justification for the read-across approach is given
within the environmental fate and pathways (chapter 5)
overall endpoint summary.
The key study with Reaction mass of
(List No 915-741-3) was performed according to OECD
guideline 121 under GLP conditions (Brekelmans
2009). In the chromatogram of the test substance
solution recorded on the MS detector, one peak was
observed at m/z 167.0 amu (diglycerol) and one at m/z
241.0 amu (triglycerol). Both peaks had a retention
time of 1.55 minutes. Under the same analytical
conditions, the retention time of acetanilide (log Koc
= 1.26) was 2.18 minutes on the UV detector which is
equivalent to a retention time of 2.27 minutes on the
MS detector. Because the major constituents in
Polyglycerol-3 eluted before Acetanilide, it was
concluded that the log Koc of Polyglycerol-3 at
neutral pH is < 1.26 (Koc < 10.82).
As the substance is composed of different
homologues, the Koc values were additionally
calculated for the representative components (mono- to
tetraglycerol) using KOCWIN v2.00 based on the
Molecular Connectivity Index (MCI). This model has no
universally accepted definition of model domain. Since
some components are outside the training set of the
MCI model, the results should be taken with caution.
The definite values may not be fully reliable, but
indicate a low adsorption potential, which is also to
be expected based on the low Kow (-1.65 - -5.41) and
the water solubility of the main components.
Nevertheless, the glycerol component fits into the
domain of the training set and the resulting Koc value
of 1 is reliable. The Koc values of the polyglycerol
components were calculated to be 10, which supports
the result of the key study. Based on this
information, it can be assumed that the adsorption
potential of 1,2,3-Propanetriol, homopolymer (CAS
25618-55-7) is low.
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