Fatty acids, C16-18 and C18-unsatd., reaction products with triethanolamine, di-Me sulfate-quaternized

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification

Qualifier:

no guideline followed

Principles of method if other than guideline:

estimated by calculation using EpiSuite v4.11, BCFBAF v3.01

GLP compliance:

no

Test organisms (species):

other: fish

Type:

BCF

Value:

70.79 L/kg

Conclusions:

The BCF of partially unsaturated TEA-Esterquat was calculated using EpiSuite v4.11, BCFBAF v3.01. The calculation yielded a BCF of 70.79 L/kg indicating a low bioaccumulation potential.
Due to missing information about the applicability of the calculation model in respect to the substance under investigation the result and the conclusion thereof should be treated with care.

Reference 2

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: By competent authority reviewed data

Principles of method if other than guideline:

Lepomis macrochirus was exposed to 14C-DHTDMAC for 49 days in a continuous flow-through system in river water and laboratory water with mean concentrations in the test period of 18 μg/L and 16 μg/L, respectively.

Radiolabelling:

yes

Test organisms (species):

Lepomis macrochirus

Route of exposure:

aqueous

Test type:

flow-through

Water / sediment media type:

natural water: freshwater

Type:

BCF

Value:

13 L/kg

Basis:

other: whole body

Remarks on result:

other: river water

Type:

BCF

Value:

32 L/kg

Basis:

other: whole body

Remarks on result:

other: laboratory water

Type:

BCF

Value:

< 5 L/kg

Basis:

edible fraction

Remarks on result:

other: river water, laboratory water

Type:

BCF

Value:

94 L/kg

Basis:

non-edible fraction

Remarks on result:

other: river water

Type:

BCF

Value:

256 L/kg

Basis:

non-edible fraction

Remarks on result:

other: laboratory water

Conclusions:

For DODMAC a BCF of 13 L/kg is used for risk assessment based on the available data.

Reference 3

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Qualifier:

no guideline followed

Principles of method if other than guideline:

Study of uptake and depuration of QAC in fish in the presence and in absence of humic acids.

GLP compliance:

not specified

Radiolabelling:

yes

Details on sampling:

Sampling intervals/frequency for test organisms:
8 fish were removed from exposure tanks after 0, 0.5, 1, 2, 4, 8 and 24 h. After 24 h of exposure, fish were transferred to fresh flowing water in the presence of HA. 8 fish were sampled after 24h and 72 h of depuration.

Sample storage conditions before analysis:
fish were frozen until analysed (- 20°C).

Details on sampling and analysis of test organisms and test media samples (e.g. sample preparation, analytical methods):
Radiochemical counting. Individual fish were thawed and weighed. A maximum of 300 mg was placed into a tared scintillation vial. Fish weighing more than 300 mg were subdivided into pieces and all pieces were solubilized (with 1% NaOH, 1% H2O2, 0.15% silicon antifoam emulsion). Scintillation vials were loosely capped. Samples were processed in a microwave oven (4 min, 199 W), and then allowed to cool for 1 min. This process was conducted 6x. Samples were then acidified (2ml of 2M HCL) and liquid scintillation cocktail was added. Radioactivity was counted in a liquid scintillation counter.

To ensure the effectiviness of the microwave assisted solubilization process and analysis of total radioactivity the results were compared with tissue combustion results. Fish tissue were combusted in a muffle furnace at 800°C under a stream of oxygene with copper and cupric oxide as combustion catalyst. CO2 was trapped and analyzed for radiolabel.

Concentration of 14C-DODMAC was not statistically different between the two methods.

Test organisms (species):

Pimephales promelas

Details on test organisms:

TEST ORGANISM
- Common name: Fathead minnow
- Source: in-house breeding culture
- Age at study initiation: juvenile
- Weight at study initiation: average 338 mg
- Feeding: no feeding during exposure and depuration

Route of exposure:

aqueous

Test type:

flow-through

Water / sediment media type:

natural water: freshwater

Total exposure / uptake duration:

24 h

Total depuration duration:

72 h

Details on test conditions:

- Type of flow-through (e.g. peristaltic or proportional diluter): Dilution water, toxicant and huminic acid (HA) solution was introduced by peristaltic pump into a mixing chamber before the exposure of aquaria.
- Renewal rate of test solution (frequency/flow rate): 100 mL/min = ca. 4 turnovers/day

Nominal and measured concentrations:

not reported

Type:

BCF

Value:

103.8 L/kg

Remarks on result:

other: 0 mg/L Humic acid; calculated from uptake and depuration rate constants given in the publication

Type:

BCF

Value:

37.5 L/kg

Remarks on result:

other: 1 mg/L; Humic acid; calculated from uptake and depuration rate constants given in the publication

Type:

BCF

Value:

2.8 L/kg

Remarks on result:

other: 6.8 mg/L Humic acid; calculated from uptake and depuration rate constants given in the publication

Details on kinetic parameters:

test medium without HA:
- Uptake rate constant (k1): 1.35 (+/- 0.25) mg/gxh
- Depuration (loss) rate constant (k2): 0.013 (+/- 0.0028) /h
- BCF: 104

test medium + 1.0 mg/L HA:
- Uptake rate constant (k1): 0.75 (+/- 0.16) mg/gxh
- Depuration (loss) rate constant (k2): 0.02 (+/- 0.0082) /h
- BCF: 37.5

test medium + 6.8 mg/L HA:
- Uptake rate constant (k1): 0.067 (+/- 0.0035) mg/gxh
- Depuration (loss) rate constant (k2): 0.024 (+/- 0.0013) /h
- BCF: 2.8

Details on results:

- Organ specific bioaccumulation: not reported
- Bound residues forming a plateau: not reported

Validity criteria fulfilled:

not applicable

Conclusions:

Juvenile fish (Pimephales promelas) were exposed to DODMAC for 24 h under flow-through conditions, followed by a depuration period of 72 h. Without Humic acid, a BCF of 103.8 L/kg could be calculated based on the uptake rate constant (k1) of 1.35 mg/g x h and the depuration rate constant (k2) of 0.013 mg/g x h. With the addition of 1 mg/L and 6.8 mg/L Humic acid, the BFC was 37.5 and 2.8 L/kg, respectively.

Description of key information

Low bioaccumulation potential (BCF = 13 L/kg, read-across from DOCMAC; BCF = 70.8 L/kg, EPIWIN v4.11, BCFBAF v3.01)

Key value for chemical safety assessment

BCF (aquatic species):

13 L/kg ww

Additional information

No experimental data on bioaccumulation is available for the target substance partially unsaturated TEA-Esterquat. However, data from the structurally related substance DODMAC (Dimethyldioctadecylammonium chloride) are provided. A justification for read-across is attached in the target record.

 

Juvenile fish (Pimephales promelas) were exposed to the structurally similar substance DODMAC for 24 h under flow-through conditions, followed by a depuration period of 72 h. A BCF of 104 L/kg is calculated based on the uptake rate constant (k1) of 1.35 mg/g·h and the depuration rate constant (k2) of 0.013 mg/g·h (Versteeg & Shorter, 1992).

The measured BCF values for similar substances (DODMAC, DHTDMAC (Dihydrogenated Tallow Alkyl Dimethyl Ammonium Chloride)) are 12-32 (BUA-Report 191, 1995) and 13-256 (EU RAR, 2002). The conclusion for DODMAC was “bioaccumulation is indicated, but it is assumed that it is low under environmental conditions. A BCF of 13 L/kg is used in the risk assessment…” (EU RAR, 2009).

This is further supported by a QSAR calculation that yielded a calculated BCF value for C18 and C18 unsatd. TEA-Esterquat of 70.79 L/kg (EPIWIN v4.11, BCFBAF v3.01). As this QSAR model does not include metabolism, it can be considered a conservative estimate of BCF. 

The low bioavailability of the substance (due to rapid and strong sorption to negatively charged surfaces in the aquatic environment) in combination with the rapid (bio)degradation of the bioavailable fraction (mainly due to the hydrolysis of the ester bond), make high bioconcentration factors for the substance even more improbable (Comberet al., 2003 in Hera, 2008).

For the target substance partially unsaturated TEA-Esterquat a BCF of the same order of magnitude and not higher than DODMAC is to be expected. The above information is considered as sufficient to support the conclusion that the bioaccumulation potential of partially unsaturated TEA-Esterquat is expected to be low.