Glycerides, C16-22

Bioaccumulation: aquatic / sediment

Administrative data

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Study period:

Not applicable

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Estimation according to BCFBAF v3.00 of EPIWIN

Data source

Reference

Reference Type:

other: software

Title:

Unnamed

Year:

2009

Materials and methods

Principles of method if other than guideline:

The Bioconcentration factor (BCF) value was calculated using BCFBAF v3.00 program of EPIWEB v 4.0.

Test material

Test material information

Constituent 1

Reference substance name:

Glycerides, C16-22

EC Number:

268-083-8

EC Name:

Glycerides, C16-22

Cas Number:

68002-70-0

Molecular formula:

Triglyceride containing a glycerol backbone esterified to fatty acids with a chain length varying from C16 to C22

IUPAC Name:

Tri (C16-22 fatty acyl) glycerol

Details on test material:

- Name of test material: Fully hydrogenated high erucic acid rapeseed oil (CAS N° 84681-71-0, EC N° 283-532-8); under the SDA nomenclature, the name of this substance is ‘Glycerides, C16-22’
- Fatty acid composition:
1. C22:0 45-50%
2. C18:0 35-40%
3. C20:0: 5-10%
4. C16:0 1-5%
5. C18:1 <3%
6. C18:2 <1%

Sampling and analysis

Details on sampling:

Not applicable

Test solutions

Details on preparation of test solutions, spiked fish food or sediment:

Not applicable

Test conditions

Hardness:

Not applicable

Test temperature:

Not applicable

pH:

Not applicable

Dissolved oxygen:

Not applicable

TOC:

Not applicable

Salinity:

Not applicable

Details on test conditions:

Not applicable

Nominal and measured concentrations:

Not applicable

Details on estimation of bioconcentration:

BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.00 of EPIWIN considering the major components of fully hydrogenated high erucic acid rapeseed oil
- Method: Estimated using the the derived QSAR estimation equation for Log Kow > 7.0:
  Log BCF  =  -0.49 Log Kow  +  7.554  + Σ correction factors
(n = 35, r2 = 0.634, Q2 = 0.57, std dev = 0.538, avg dev = 0.396)

(A) Tristearin:
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.1075 days (HL = 1281 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: 23.94 (estimated)

(B) Tribehenin:
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 4.7773 days (HL = 5.989e+004 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: 29.83 (estimated)

Results and discussion

Bioaccumulation factor

Key result

Type:

BCF

Value:

3.16 L/kg

Basis:

other: Log BCF from regression-based method

Calculation basis:

other: log Kow used: 29.83 (estimated)

Details on kinetic parameters:

Not applicable

Metabolites:

Not applicable

Results with reference substance (positive control):

Not applicable

Details on results:

Not applicable

Reported statistics:

Not applicable

Any other information on results incl. tables

None

Applicant's summary and conclusion

Conclusions:

The estimated BCF of fully hydrogenated high erucic acid rapeseed oil (considering the major components), according to the BCFBAF v3.00 of EPIWIN, was 3.16 L/kg wet weight.

Executive summary:

The bioaccumulation potential of hydrogenated high erucic acid rapeseed oil was estimated to be 3.16 L/kg wet weight according to the BCFBAF v3.00 model of EPIWIN v.40. The estimation by this method, may be little less accurate as the molecular weight and the Kow range for the different chain lengths of fatty acids are outside the molecular weight range of the training set compounds.

When ingested, the constituent triglycerides are well known to be broken down into glycerol and fatty acids which then undergobeta-oxidation and are used as a source of energy. As such, the substance is not expected to bioaccumulate in aquatic or terrestrial organisms.