Reaction products resulting from the esterification of C18 unsaturated fatty acid with glycerol and glycerol oligomers

Bioaccumulation: aquatic / sediment

Administrative data

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2019

Materials and methods

Principles of method if other than guideline:

Calculation with EPA EPIWIN modelling software.

GLP compliance:

no

Test material

Test material information

1

Reference substance name:

Reaction products resulting from the esterification of C18 unsaturated fatty acid with glycerol and glycerol oligomers

EC Number:

943-350-8

Molecular formula:

not applicable (UVCB)

IUPAC Name:

Reaction products resulting from the esterification of C18 unsaturated fatty acid with glycerol and glycerol oligomers

Results and discussion

Bioaccumulation factor

Value:

< 81 L/kg

Remarks on result:

other: Result for all constituents

Any other information on results incl. tables

	log kow	BCF (regression-based) [L/kg wet wt]	Arnot-Gobas [L/kg wet wt]
Monoglycerol	-1,6524	3,16	0,893
Monoglycerolmonoester	6,4012	328	57,1
Monoglyceroldiester	14,6428	3,16	0,927
Monoglyceroltriester	23,4758	3,16	0,893
Diglycerol	-2,7684	3,16	0,893
Diglycerol-a-monoester	5,4796	80,9	17
Diglycerol-b-monoester	5,4796	80,9	17
Diglycerol-aa-diester	13,7276	6,72	0,897
Diglycerol-ab-diester	14,1276	4,28	0,896
Diglycerol-bb-diester	13,7276	6,72	0,897
Diglycerol-abb-triester	21,9692	3,16	0,893
Diglycerol-tetraester	30,6172	3,16	0,893
Triglycerol	-4,09	3,16	0,893
Triglycerol-a-monoester	4,158	10,9	12,5

Applicant's summary and conclusion

Conclusions:

Calculations with EPA EPIWIN (v4.10) BCFBAF Program (v3.01) for all possible constituents showed a maximum for the Diglycerol-mono-C18-unsat-ester with Log BCF (regression-based estimate): 1.91 (BCF = 80.9 L/kg wet-wt) and Log BAF (Arnot-Gobas upper trophic): 1.23 (BAF = 17 L/kg wet-wt) which reflects the rapid metabolism. Results for all other constituents are below these values. All values are clearly <2000 L/kg wwt which is the definite criteria for PBT substances and clearly <5000 L/kg wwt which is the definite criteria for vPvB substances.