1,1'-[[3-(dimethylamino)propyl]imino]bispropan-2-ol

Short-term toxicity to fish

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to fish

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

May 2022

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

1. SOFTWARE
EPI Suite v4.1
2. MODEL (incl. version number)
ECOSAR v1.11
The following sub-models are covered for this QSAR analysis, all predicting 96-hour LC50 values for freshwater fish:
-Aliphatic Amines
-Neutral Organic SAR
-Aldehydes (Mono)
-Aliphatic Amines-acid
-Neutral Organics-acid
-Neutral Organics
-Aldehydes (Mono)-acid
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
ECOSAR only requires a chemical structure as SMILES as input. All SMILES codes are available in the attached QPRF.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.
5. APPLICABILITY DOMAIN
ECOSAR predictions were also made for acute aquatic toxicity to algae and invertebrates. Only for
the substance group Aldehydes (Mono) were fish the most sensitive species. The structural similarity of the test compounds to the training set chemicals was limited, therefore the predictions should be used with caution. A detailed assessment of the applicability domain of this model can be found in the attached QPRF.
6. ADEQUACY OF THE RESULT
The main purpose of this QSAR analysis, was to assess the aquatic toxicity of the predicted biodegradation products of JeffCat DPA (CAS# 63469-23-8) for use in the PBT/vPvB assessment. All predicted effects concentrations were well above the screening criterion for any of the substances to fulfill the T criterion. Although the modelling results should be interpreted with care, they allow a large margin of error and indicate that according to the estimated aquatic toxicity, none of the biodegradation products are expected to fulfill the T criterion. The predictions can be considered appropriate for this use.

Reason / purpose for cross-reference:

other: Record containing the log Kow values (predicted with KOWWIN v1.68) needed for the predicti on of acute toxicity to fish.

Reason / purpose for cross-reference:

other: Record describing the biodegradation products of JeffCat DPA (CAS# 63469-23-8) predicted by EAWAG-BBD PPS, for which acute toxicity to fish is estimated.

Principles of method if other than guideline:

Estimation of the acute aquatic toxicity to freshwater fish using ECOSAR v4.11.

GLP compliance:

no

Specific details on test material used for the study:

Predictions were made for the 41 biodegradation products predicted by the EAWAG-BBD PPS tool.

Details on test organisms:

Freshwater fish

Sublethal observations / clinical signs:

The table below lists the ECOSAR v4.11 predictions for the compounds for which fish was the most sensitive species. All results are available in the QPRF.

Name	ECOSAR Aldehyde 96 hr LC50 for fish (mg/L)
2-Hydroxypropanal	203.742
2-Oxopropanal (Methylglyoxal)	278.723
3-Oxopropanoic acid	1683.874

Conclusions:

Overall, a very low aquatic toxicity to fish was estimated for the modelled compounds. The lowest LC50 obtained for fish within the substances identified as aldehydes, was 204 mg/L. Although the modelling results should be interpreted with care, they allow a very large margin of error and indicate that according to their estimated aquatic toxicity, none of the biodegradation products are expected to fulfill the T criterion.

Reference 2

Endpoint:

short-term toxicity to fish

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2011-12-05 - 2011-12-12

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 203 (Fish, Acute Toxicity Test)

Deviations:

no

GLP compliance:

yes

Specific details on test material used for the study:

- Name of test material (as cited in study report): 1,1-[[3-(dimethylamino)propyl]imino]bis(2-propanol)
- Substance type: organic
- Physical state: clear amber liquid
- Analytical purity: 85.7%
- Impurities (identity and concentrations): not reported
- Lot/batch No.: PFW100241
- Storage condition of test material: at ambient temperature in original container

Analytical monitoring:

yes

Details on sampling:

- Samples for test substance concentration verification were taken at 0 and 96 h.

Vehicle:

no

Details on test solutions:

- A 120 mg/L test solution of 1,1’-[[3-(DIMETHYLAMINO)PROPYL]IMINO]BIS(2-PROPANOL) was prepared by adding a nominal solution of 1.2 g to 10 L of dilution water. The test solution was stirred vigorously for 15 minutes resulting in a clear colourless solution. The pH of the test solution was adjusted from 10.1 to 7.7 using 1M HCl.
- Dilution water: tap water which had been coarsely filtered to remove particulate material, passed through activated carbon and dechlorinated using sodium thiosulphate. Salts were added, as required, to maintain minimum hardness levels, and the treated water passed through an ultraviolet steriliser and filtered to 10 μm.

Test organisms (species):

Oncorhynchus mykiss (previous name: Salmo gairdneri)

Details on test organisms:

TEST ORGANISM
- Common name: rainbow trout
- Source: Houghton Springs Fish Farm, Winterbourne Houghton, Blandford Forum, Dorset, DT11 0PD
- Age at study initiation (mean and range, SD): not reported (juvenile)
- Length at study initiation (length definition, mean, range and SD): not reported
- Weight at study initiation (mean and range, SD): not reported
- Feeding during test: no

ACCLIMATION
- Acclimation period: approx 4 wks
- Acclimation conditions (same as test or not): same as test
- Type and amount of food: commercial fish food (amount not specified)
- Feeding frequency: daily
- Prophylactic treatment: a twice daily treatment of formalin and malachite green which was completed > 7 days before the start of the test (upon arrival until finalisation of this treatment fish were also held in 20% seawater)
- Health during acclimation (any mortality observed): no mortalities recorded within 7 days prior to the start of the study

Test type:

static

Water media type:

freshwater

Limit test:

yes

Total exposure duration:

96 h

Hardness:

In the dechlorinated water supply: 61.0 mg/L expressed as CaCO3

Test temperature:

14.5 - 15.0 °C

pH:

7.35 - 7.86

Dissolved oxygen:

7.85 - 10.29 mg/L

Salinity:

Not applicable

Nominal and measured concentrations:

Nominal: 0, 120 mg/L
Measured: < 1.0, 130 mg/L at both t=0 and t= 96h

Details on test conditions:

TEST SYSTEM
- Test vessel: glas vessels
- Type (delete if not applicable): open
- Material, size, headspace, fill volume: glass, 10 L, fill volume not reported
- Aeration: yes, gently
- No. of organisms per vessel: 10
- No. of vessels per concentration (replicates): 1
- No. of vessels per control (replicates): 1

TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: as described under "details on test solution"
- Total organic carbon: 2.49 mg/L
- Particulate matter: <3 mg/L
- Metals: not reported
- Pesticides: < 0.05 μg/L (organo chlorine), < 0.01 μg/L (organo phosphorus)
- Chlorine: < 2 μg/L, as Cl2, free as well as total
- Alkalinity: 30.2 mg/L as CaCO3
- Ca/mg ratio: not reported
- Conductivity: 233 μS/cm
- Intervals of water quality measurement: pH and conductivity daily, alkalinity, hardness and free & total chlorine once per week, other parameters quarterly.
- During the test, pH, temperature, and dissolved oxygen concentrations were measured daily.

OTHER TEST CONDITIONS
- Adjustment of pH: from 10.1 to 7.7 using 1M HCl
- Photoperiod: 16h day, 8h night, 20 min dawn
- Light intensity: not reported

EFFECT PARAMETERS MEASURED (with observation intervals if applicable): mortality (at 3, 24, 48, 72 and 96 h)

TEST CONCENTRATIONS
- Test concentrations: 0 (dilution water) and 120 mg/L

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

> 120 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Details on results:

- Behavioural abnormalities: none
- Observations on body length and weight: control fish at end of exposure period: weight: range 0.75 - 1.18 g, mean 0.94 g; length: range 40 - 48 mm, mean 44 mm
- Other biological observations: none
- Mortality of control: no
- Other adverse effects control: none
- Abnormal responses: none
- Any observations (e.g. precipitation) that might cause a difference between measured and nominal values: no
- Effect concentrations exceeding solubility of substance in test medium: no

Reported statistics and error estimates:

none

Validity criteria fulfilled:

yes

Conclusions:

Juvenile rainbow trout (Oncorhynchus mykiss) was exposed to the test substance at 0 and 120 mg/L (limit test). No mortality was observed and the 96-h LC50 is concluded to be > 120 mg/L. Measured concentrations were in agreement with nominal concentrations.

Description of key information

The study of Vaughan et al. (2012) is selected as key study for endpoint coverage. The study is a limit test investigating the acute toxicity of the substance to fish according to the OECD guideline 203. The 96h-LC50 was determined to be > 120 mg/L (nominal) based on the mortality of Rainbow trout (Oncorynchus mykiss) under static conditions. The study is given a Klimisch score of 1 and was performed under GLP conditions.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Dose descriptor:

LC50

Effect concentration:

> 120 mg/L

Additional information

Additionally, a QSAR analysis was carried out to assess the aquatic toxicity of the predicted biodegradation products of the substance for use in the PBT/vPvB assessment. Estimations were carried out using ECOSAR v1.11. All predicted effects concentrations were above the screening criterion for any of the substances to fulfill the T criterion (the lowest 96h-LC50 obtained for fish was 113.4 mg/L).