Reaction mass of 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-N,N-dimethyl- & chloride

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

Experimental result of read across chemicals

Justification for type of information:

Data for the target chemical is summarized based on the structurally and functionally similar read across chemicals

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Qualifier:

according to guideline

Guideline:

other: As mention below

Principles of method if other than guideline:

WoE report is based on short term toxicity studies as - WoE-2 and WoE-3

GLP compliance:

not specified

Specific details on test material used for the study:

Name: Reaction mass of 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-N,N-dimethyl- & chloride Mol. formula: C35H46ClN5O4Molecular Weight: 636.232 g/moleInChI:1S/C35H46N5O4.ClH/c1-7-38(8-2)32-16-12-28(13-17-32)24-30(26-36)34(41)43-22-11-20-40(5,6)21-23-44-35(42)31(27-37)25-29-14-18-33(19-15-29)39(9-3)10-4;/h12-19,24-25H,7-11,20-23H2,1-6H3;1H/q+1;/p-1/b30-24+,31-25+;Smiles:C(CCOC(\C(=C\c1ccc(cc1)N(CC)CC)C#N)=O)[N+](C)(C)CCOC(\C(=C\c1ccc(cc1)N(CC)CC)C#N)=O.[ClH-]Substance type: Organic

Analytical monitoring:

not specified

Vehicle:

yes

Details on test solutions:

1. The stock solution 100 mg/l was prepared by dissolving orange powder in reconstituted water. Test solutions of required concentrationas were prepared by mixing the stock solution of the test sample with reconstituted test water.

Test organisms (species):

Daphnia magna

Details on test organisms:

TEST ORGANISM- Common name: Water flea- Strain: Straus- Source: Own breeding at University of Chemistry and Technology, Prague- Age at study initiation (mean and range, SD): The animals used for the test shall be less than 24 h old and should not be first brood progeny- Feeding during test: No feedingACCLIMATION - No data available- Acclimation period:- Acclimation conditions (same as test or not):- Type and amount of food:- Feeding frequency:- Health during acclimation (any mortality observed):

Test type:

static

Water media type:

freshwater

Total exposure duration:

48 h

Remarks on exposure duration:

± 1 hr

Post exposure observation period:

24 hrs in second study

Test temperature:

1. 20±1°C

pH:

1. Test at 100 mg/l: 7.9 (changed to 7.7 during test)Control 1: 7.7 (no change during test)Control 2: 7.7 (changed to 7.6 during test)

Dissolved oxygen:

1. higher than 7.6 mg/L at the end of test

Nominal and measured concentrations:

1. 0, 6, 10, 18, 32, 58 and 100 mg/l

Details on test conditions:

TEST SYSTEM- Test vessel: 50 ml glass vessel- fill volume: 25 ml- No. of organisms per vessel: 5- No. of vessels per concentration (replicates): 4TEST MEDIUM / WATER PARAMETERS- Source/preparation of dilution water: Natural water (surface or ground water), reconstituted water or dechlorinated tap water are acceptable as culturing and dilution water if D. magna survives in it for the duration of the culturing, acclimation and testing without showing signs of stress. Waters in the range pH 6 to pH 9, with hardness between 140 mg/l and 275 mg/l (as CaCO3) are recommended.As an example, the preparation of dilution water meeting the requirements is described below.Dissolve known quantities of reagents in water. The dilution water prepared shall have a pH of 7.8 ± 0.5, a hardness of (225 ± 50) mg/l (expressed as CaCO3), a molar Ca + Mg ratio close to 4 + 1 and a dissolved oxygen concentration above 7 mg/l.Prepare the solutions specified below:- Calcium chloride solution: Dissolve 117.6 g of calcium chloride dihydrate (CaCl2.2H2O) in water (4.2) and make up to 1 l with water (4.2).- Magnesium sulfate solution: Dissolve 49.3 g of magnesium sulfate heptahydrate (MgSO4.7H2O) in water (4.2) and make up to 1 l with water (4.2).- Sodium bicarbonate solution: Dissolve 25.9 g of sodium bicarbonate (NaHCO3) in water (4.2) and make up to 1 l with water (4.2).- Potassium chloride solution: Dissolve 2.3 g of potassium chloride (KCI) in water (4.2) and make up to 1 l with water (4.2).MixingMix 2.5 ml of each of the four solutions and make up to 1 l with water.The dilution water shall be aerated until the dissolved oxygen concentration has reached saturation and the pH has stabilized. If necessary, adjust the pH to 7.8 ± 0.5 by adding sodium hydroxide (NaOH) solution or hydrochloric acid (HCI). The dilution water prepared in this way shall not be further aerated before use.- Sodium hydroxide solution, e.g. [NaOH] : 1 mol/l.- Hydrochloric acid, e.g. [HCl] : 1 mol/l.Reference substance: Dissolve 600 mg of potassium dichromate (K2Cr2O7) in water and make up to 1 l with water (4.2).OTHER TEST CONDITIONS- Adjustment of pH: no adjustment done- Photoperiod: No - Darkness- Light intensity:CALCULATION:EC50 was calculated using non linear regression by the software Prism 4.0

Reference substance (positive control):

yes

Remarks:

Potassium dichromate (K2Cr2O7)

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

54.8 mg/L

Nominal / measured:

meas. (not specified)

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: 95 % CI for 1 study was 41.8-71.8 mg/l

Key result

Duration:

24 h

Dose descriptor:

EC50

Effect conc.:

22 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: For second study

Results with reference substance (positive control):

1.- Results with reference substance valid- EC50: 0.79 mg/L (24 hours)

Reported statistics and error estimates:

EC50 was calculated using non linear regression by the software Prism 4.0

Validity criteria fulfilled:

not specified

Conclusions:

1. The median effective concentration (EC50) for the test substance, in Daphnia magna was determined to be 54.8 mg/L for immobilisation effects.2. The effect concentration EC50 was observed to be 22 mg/l for test chemical on daphnia magba after 24h of exposure.Based on the both studies, it was concluded that the chemical was toxic as the value ranges from 22-54-.8 mg/l and classified as aquatic chronic 3 as per the CLP classification criteria.

Executive summary:

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the toxicity of the test Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride on the mobility of aquatic invertebrates. The studies are as mentioned below:

In study 1 determination of the inhibition of the mobility of daphnids was carried out with the test substance according to OECD Guideline 202. The test substance was tested at the concentrations 0, 6, 10, 18, 32, 58 and 100 mg/L. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance, on Daphnia magna was determined to be 54.8 mg/L for immobilisation effects. This value indicates that the substance is likely to be hazardous to aquatic invertebrates and can be classified as aquatic chronic 3 category as per the CLP criteria.

First study was supported by the second. Aim of this study was to evaluate the toxicity of test chemical on the biological activity and mobility of daphnia magna. Test conducted under the static system for 24 hrs. The effect concentration EC50 was observed to be 22 mg/l for chemical after 24h of exposure. Based on the EC50 value, chemical was consider as toxic and can be consider to be classified as aquatic chronic category 3 as per the CLP classification criteria.

Based on the both studies, it was concluded that the Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was toxic and classified as aquatic chronic 3 as per the CLP classification criteria.

Description of key information

1. The median effective concentration (EC50) for the test substance, in Daphnia magna was determined to be 54.8 mg/L for immobilisation effects.

2. The effect concentration EC50 was observed to be 22 mg/l for test chemical on daphnia magba after 24h of exposure.

Based on the both studies, it was concluded that the Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was toxic as the value ranges from 22-54-.8 mg/l and classified as aquatic chronic 3 as per the CLP classification criteria.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

54.8 mg/L

Additional information

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the toxicity of the test Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride on the mobility of aquatic invertebrates. The studies are as mentioned below:

In study 1 determination of the inhibition of the mobility of daphnids was carried out with the test substance according to OECD Guideline 202. The test substance was tested at the concentrations 0, 6, 10, 18, 32, 58 and 100 mg/L. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance, on Daphnia magna was determined to be 54.8 mg/L for immobilisation effects. This value indicates that the substance is likely to be hazardous to aquatic invertebrates and can be classified as aquatic chronic 3 category as per the CLP criteria.

First study was supported by the second. Aim of this study was to evaluate the toxicity of test chemical on the biological activity and mobility of daphnia magna. Test conducted under the static system for 24 hrs. The effect concentration EC50 was observed to be 22 mg/l for chemical after 24h of exposure. Based on the EC50 value, chemical was consider as toxic and can be consider to be classified as aquatic chronic category 3 as per the CLP classification criteria.

Based on the both studies, it was concluded that the Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was toxic and classified as aquatic chronic 3 as per the CLP classification criteria.