Ethanol, 2,2'-iminobis-, N-(C13-15-branched and linear alkyl) derivs.

Long-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

long-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

GLP compliance:

no

Remarks:

calculation

Test organisms (species):

other: Daphnid

Test type:

other: calculation

Water media type:

freshwater

Total exposure duration:

21 d

Duration:

21 d

Dose descriptor:

other: geometric mean of LOEC and NOEC

Effect conc.:

0.02 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

other: Atmer 163 (C13): based on calculation

Duration:

21 d

Dose descriptor:

other: geometric mean of LOEC and NOEC

Effect conc.:

0.018 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

other: Atmer 163 (C15): based on calculation

ECOSAR program (v1.00) Results:

=====================================================

Atmer 163 (C13)

SMILES : CCCCCCCCCCCCCN(CCO)(CCO)

MOL FOR: C17 H37 N1 O2

MOL WT : 287.49

Log Kow: 4.39 (KowWin estimate)

Wat Sol: 81 mg/L (measured)

ECOSAR v1.00 Class(es) Found

------------------------------

Aliphatic Amines

Predicted

ECOSAR Class Organism Duration End Pt mg/L (ppm)

=========================== ================== ======== ====== ==========

Aliphatic Amines : Fish 96-hr LC50 1.841

Aliphatic Amines : Daphnid 48-hr LC50 0.304

Aliphatic Amines : Green Algae 96-hr EC50 0.284

Aliphatic Amines : Fish ChV 0.039

Aliphatic Amines : Daphnid ChV 0.020

Aliphatic Amines : Green Algae ChV 0.060

Aliphatic Amines : Fish (SW) 96-hr LC50 2.005

Aliphatic Amines : Mysid Shrimp (SW) 96-hr LC50 0.273

Aliphatic Amines : Green Algae (SW) 96-hr EC50 0.276

Aliphatic Amines : Fish (SW) ChV 0.039

Aliphatic Amines : Mysid Shrimp (SW) ChV 0.020

Aliphatic Amines : Green Algae (SW) ChV 0.061

=========================== ================== ======== ====== ==========

Neutral Organic SAR : Fish 96-hr LC50 2.100

(Baseline Toxicity) : Daphnid 48-hr LC50 1.618

: Green Algae 96-hr EC50 1.860

: Fish ChV 0.189

: Daphnid ChV 0.228

: Green Algae ChV 1.042

Note: * = asterisk designates: Chemical may not be soluble

enough to measure this predicted effect.

Aliphatic Amines:

----------------

For Fish 96-hr LC50: For aliphatic amines with log Kow greater than 7.0,

a test duration of greater than 96 hrs may be required for proper

expression of toxicity. Also, if the toxicity value obtained by the use

of this equation exceeds the water solubility (measured or estimated),

mortalities greater than 50% would not be expected in a saturated

solution during an exposure period of 96 hrs.

For Daphnid 48-hr LC50: For aliphatic amines with log Kow greater than

5.0, a test duration of greater than 48 hrs may be required for proper

expression of toxicity. Also, if the toxicity value obtained by the use

of this equation exceeds the water solubility (measured or estimated),

significant mortalities would not be expected in a saturated solution

during an exposure period of 48 hrs.

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is

greater than 7, or if the compound is solid and the EC50 exceeds the water

solubility by 10X, no effects at saturation are predicted for these endpoints.

For Mysid Shrimp Acute Toxicity Values: If the log Kow of the chemical is

greater than 6, or if the compound is solid and the EC50 exceeds the water

solubility by 10X, no effects at saturation are predicted for these endpoints.

For Fish and Daphnid Chronic Toxicity Values: If the log Kow of the chemical

is greater than 8.0, or if the compound is solid and the ChV exceeds the water

solubility by 10X, no effects at saturation are predicted for these endpoints.

For Green Algae Chronic Toxicity Values: If the log Kow of the chemical

is greater than 7.0, or if the compound is solid and the ChV exceeds the water

solubility by 10X, no effects at saturation are predicted for these endpoints.

ECOSAR v1.00 SAR Limitations:

----------------------------

Maximum LogKow: 6.0 (Fish, Mysid LC50)

Maximum LogKow: 5.0 (Daphnid LC50)

Maximum LogKow: 7.0 (Green Algae EC50)

Maximum LogKow: 8.0 (Fish, Daphnid ChV)

Maximum LogKow: 7.0 (Green Algae ChV)

Maximum Mol Wt: 1000

Baseline Toxicity SAR Limitations:

---------------------------------

Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)

Maximum LogKow: 6.4 (Green Algae EC50)

Maximum LogKow: 8.0 (ChV)

Maximum Mol Wt: 1000

===================================================================

Atmer 163 (C15)

SMILES : CCCCCCCCCCCCCCCN(CCO)(CCO)

MOL FOR: C19 H41 N1 O2

MOL WT : 315.54

Log Kow: 5.37 (KowWin estimate)

Wat Sol: 81 mg/L (measured)

ECOSAR v1.00 Class(es) Found

------------------------------

Aliphatic Amines

Predicted

ECOSAR Class Organism Duration End Pt mg/L (ppm)

=========================== ================== ======== ====== ==========

Aliphatic Amines : Fish 96-hr LC50 0.518

Aliphatic Amines : Daphnid 48-hr LC50 0.105

Aliphatic Amines : Green Algae 96-hr EC50 0.135

Aliphatic Amines : Fish ChV 0.012

Aliphatic Amines : Daphnid ChV 0.018

Aliphatic Amines : Green Algae ChV 0.022

Aliphatic Amines : Fish (SW) 96-hr LC50 0.569

Aliphatic Amines : Mysid Shrimp (SW) 96-hr LC50 0.092

Aliphatic Amines : Green Algae (SW) 96-hr EC50 0.130

Aliphatic Amines : Fish (SW) ChV 0.012

Aliphatic Amines : Mysid Shrimp (SW) ChV 0.018

Aliphatic Amines : Green Algae (SW) ChV 0.023

=========================== ================== ======== ====== ==========

Neutral Organic SAR : Fish 96-hr LC50 0.340

(Baseline Toxicity) : Daphnid 48-hr LC50 0.295

: Green Algae 96-hr EC50 0.508

: Fish ChV 0.030

: Daphnid ChV 0.049

: Green Algae ChV 0.340

Note: * = asterisk designates: Chemical may not be soluble

enough to measure this predicted effect.

Aliphatic Amines:

----------------

For Fish 96-hr LC50: For aliphatic amines with log Kow greater than 7.0,

a test duration of greater than 96 hrs may be required for proper

expression of toxicity. Also, if the toxicity value obtained by the use

of this equation exceeds the water solubility (measured or estimated),

mortalities greater than 50% would not be expected in a saturated

solution during an exposure period of 96 hrs.

For Daphnid 48-hr LC50: For aliphatic amines with log Kow greater than

5.0, a test duration of greater than 48 hrs may be required for proper

expression of toxicity. Also, if the toxicity value obtained by the use

of this equation exceeds the water solubility (measured or estimated),

significant mortalities would not be expected in a saturated solution

during an exposure period of 48 hrs.

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is

greater than 7, or if the compound is solid and the EC50 exceeds the water

solubility by 10X, no effects at saturation are predicted for these endpoints.

For Mysid Shrimp Acute Toxicity Values: If the log Kow of the chemical is

greater than 6, or if the compound is solid and the EC50 exceeds the water

solubility by 10X, no effects at saturation are predicted for these endpoints.

For Fish and Daphnid Chronic Toxicity Values: If the log Kow of the chemical

is greater than 8.0, or if the compound is solid and the ChV exceeds the water

solubility by 10X, no effects at saturation are predicted for these endpoints.

For Green Algae Chronic Toxicity Values: If the log Kow of the chemical

is greater than 7.0, or if the compound is solid and the ChV exceeds the water

solubility by 10X, no effects at saturation are predicted for these endpoints.

ECOSAR v1.00 SAR Limitations:

----------------------------

Maximum LogKow: 6.0 (Fish, Mysid LC50)

Maximum LogKow: 5.0 (Daphnid LC50)

Maximum LogKow: 7.0 (Green Algae EC50)

Maximum LogKow: 8.0 (Fish, Daphnid ChV)

Maximum LogKow: 7.0 (Green Algae ChV)

Maximum Mol Wt: 1000

Baseline Toxicity SAR Limitations:

---------------------------------

Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)

Maximum LogKow: 6.4 (Green Algae EC50)

Maximum LogKow: 8.0 (ChV)

Maximum Mol Wt: 1000

Reference 2

Endpoint:

long-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

key study

Study period:

02 Oct - 10 Dec 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP Guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 211 (Daphnia magna Reproduction Test)

Qualifier:

according to guideline

Guideline:

EU Method C.20 (Daphnia magna Reproduction Test)

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss Federal Office of Public Health, Bern, Switzerland

Analytical monitoring:

yes

Details on sampling:

- Concentrations: Samples were taken from control, 0.005, 0.016, 0.05, 0.16 and 0.5 mg/L. The concentrations of the test item were measured in one of the supplicate test media samples from the test concentrations of 0.16 mg/L (all intervals) and 0.50 mg/L (only first interval since all animals were dead at observation on day 5), determined in the experiment as the 21 day NOEC and LOEC. From the control samples, one of the duplicate samples of each sampling date was analyzed.
- Sampling method: Duplicate samples were taken from the freshly prepared test media at one treatment period of the first, second and last week of the test (day 0, 7 and 16, respectively). To determine the maintenance of the test item concentrations in the test media, stability samples were taken at the end of two test medium renewal periods of 48 h (days 2 and 9) and at the end of one renewal period of 72 h (day 19) or from the sampling times of the respective exposure periods with surviving animals.
- Sample storage conditions before analysis: Samples were stored deep-frozen at about -20 °C immediately after sampling.

Vehicle:

no

Details on test solutions:

PREPARATION AND APPLICATION OF TEST SOLUTION
- Method: Prior to the start of the test and prior to each test medium renewal, a stock solution of nominal 10 mg/L was freshly prepared by completely dissolving 30 mg of the test item (dosed in the range of 30.06 to 30.47 mg) in 3000 mL of the test water using ultrasonic treatment for 15 minutes and stirring for 15 min at room temperature. The pH of the test water used for preparation of the stock solution was adjusted to 6.5 with 1 M hydrochloric acid solution in order to completely dissolve the test item. This intensively stirred stock solution was used in series dilutions to prepare the test media of all test item concentrations.
- Eluate: no
- Differential loading: no
- Controls: yes, test water control

Test organisms (species):

Daphnia magna

Details on test organisms:

TEST ORGANISM
- Common name: water flea
- Strain/clone: Clone 5
- Source: Originally supplied by the University of Sheffield/UK in 1992. Since this date the clone is successfully bred at Harlan Laboratories in culture medium identical to the medium used for the test.
- Age of parental stock: at least 14 d old but not older than four weeks and were not first brood progeny. At the start of the test, the test animals were less than 24 h old.
- Feeding during test
- Food type: Food mixture containing a suspension of green algae of Scenedesmus subspicatus (freshly grown at Harlan Laboratories) and a fish food suspension. The fish food suspension was fed in addition to the algal food, because a toxic effect of the test item on the algae could not be excluded and to reduce the amount of algal food to prevent an increase of the pH values in the test media due to algal growth. The fish food suspension was prepared by dispersing 10 g of powdered commercial fish diet (TETRA MIN Hauptfutter, TETRA-Werke, Melle, Germany) in 500 mL of test water. The suspension was allowed to stand for 4 h. Then, 400 mL of the supernatant were taken, diluted 1:1 with test water and boiled. The suspension was stored deep frozen in small quantities until use.
- Amount: 0.20 mg TOC per Daphnia and day
- Frequency: daily

Test type:

semi-static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

21 d

Hardness:

250 mg/L as CaCO3

Test temperature:

20 - 21 °C

pH:

7.6 - 8.0

Dissolved oxygen:

7.9 - 9.2 mg O2/L

Nominal and measured concentrations:

nominal: control, 0.005, 0.016, 0.05, 0.16, 0.5 mg/L
measured: < LOQ, not analyzed, not analyzed, not analyzed, 0.10 mg/L, 0.32 mg/L (time weighted means)

Details on test conditions:

TEST SYSTEM
- Test vessel: beakers
- Type (delete if not applicable): covered with glass plates
- Material, size, headspace, fill volume: glass, 100 mL, headspace: 20 mL, fill volume: 80 mL
- Aeration: no
- Renewal rate of test solution (frequency/flow rate): renewed every 48 or 72 h (on days 2, 5, 7, 9, 12, 14, 16 and 19)
- No. of organisms per vessel: 1
- No. of vessels per concentration (replicates): 10
- No. of vessels per control (replicates): 10

TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: reconstituted water (Elendt M7 medium)
- Culture medium different from test medium: no

OTHER TEST CONDITIONS
- Adjustment of pH: no
- Photoperiod: 16 h light / 8 h dark with 30 min transition period
- Light intensity: 400 - 540 lux

EFFECT PARAMETERS MEASURED (with observation intervals if applicable): The test replicates were observed for immobility of adults of days 0-2 and thereafter three times per week before renewal of the test media. On the same dates, the test replicates were observed for the number of living and dead offspring and for the presence of aborted eggs. The reproduction rate was calculated as the total number of living offspring produced per parent female surviving until the end of the test.

Reference substance (positive control):

no

Duration:

21 d

Dose descriptor:

NOEC

Effect conc.:

0.1 mg/L

Nominal / measured:

meas. (TWA)

Conc. based on:

test mat.

Basis for effect:

mortality

Duration:

21 d

Dose descriptor:

LOEC

Effect conc.:

0.32 mg/L

Nominal / measured:

meas. (TWA)

Conc. based on:

test mat.

Basis for effect:

mortality

Details on results:

- Mortality of parent animals: 100% on day 5 at concentration of 0.32 mg/L (meas.); 10% on day 16 at concentration of 0.005 mg/L (nominal)
- Type and number of morphological abnormalities: not observed
- Type and number of behavioural abnormalities: not observed
- Time to first brood release or time to hatch: on day 9 except at the highest concentration (100% mortality on day 5)

Reported statistics and error estimates:

multiple Dunnett t-test

The concentrations in the freshly prepared test media of the relevant concentrations (0.16 and 0.50 mg/L or NOEC and LOEC, respectively) were between 79 and 98% of the nominal values. In the aged test media samples without food, the measured concentrations decreased and were between 58 and 86% of the nominal values. In the aged test media samples with food, the measured concentrations were between 26 and 56% of the nominal values. The test substance was not stable during the test media renewal periods of two and three days. Thus, all reported biological results are related of the mean measured concentrations of the test item. The mean measured test item concentrations during the test period were calculated as the time-weighted means over the measurements per test concentration at the start and the end of the renewal periods.

Table 1: Number of Living Offspring Produced per Surviving Adult after 21 Days of Exposure

Replicate	Nominal concentration [mean measured concentration in brackets), [mg/L]
	Control	0.005 (n.a.)	0.016 (n.a.)	0.050 (n.a.)	0.16 (0.10)	0.50 (0.32)
1	148	145	121	111	143	*
2	115	115	127	121	154	*
3	144	104	116	122	123	*
4	131	123	139	109	154	*
5	141	113	121	123	167	*
6	121	106	119	133	139	*
7	125	*	124	118	148	*
8	137	116	125	125	128	*
9	120	124	119	143	157	*
10	156	124	120	113	169	*
Mean	133.8	118.9	123.1	121.8	148.2	n.a.
±SD	13.6	12.2	6.5	10.3	15.2	n.a.
N	10	9	10	10	10	0
CV %	10.1	10.3	5.2	8.5	10.3	n.a.
% of control	100.0	88.9	92.0	91.0	110.8	n.a.
STAT	--	s.	n.s.	s.	n.s.	n.a.

*: test animal died during test period

n.a.: not applicable

SD: standard deviation

CV %: coefficient of variation: (SD/mean)x100%

STAT: results of a Dunnett t-test (one-sided smaller,α= 0.05) with the mean values of living offspring

n.s.: mean value not significantly lower than in the control

s.: statistically significantly lower than the control value fue to very low variability of results, however, not estimated as biologically relevant toxic effect, since no concentration-response relationship could be observed.

Description of key information

NOEC (21 d): 0.1 mg/L (measured, time weighted average) for Daphnia magna (OECD 211)

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

0.1 mg/L

Additional information

One study is available investigating the chronic toxicity of Atmer 163 (CAS No. 97925-95-6) to aquatic invertebrates (GLP; Eckenstein, 2013). Daphnia magna was exposed under semi-static conditions to nominal test concentrations up to 0.5 mg/L. The concentrations relevant for derivation of NOEC and LOEC were analysed analytically by liquid chromatography-mass spectrometry (HPLC, MS/MS) in order to base the resulting effect concentrations on measured data. Moreover, the test item was found not to be stable during the renewal periods since the concentrations dropped below 80% of nominal (26-56%). No effects on reproduction were observed after 21 d but mortality of 100% was observed in the highest test concentration on day 5 (0.32 mg/L, measured). Thus, a NOEC (21 d) of 0.1 mg/L (measured, time-weighted average) was derived based on mortality.