3-phenylpropionyl chloride

Endpoint summary

Description of key information

Short-term toxicity to fish

Observations on the toxic effect of compound were made on larvae of the sea lamprey (Petromyzon marinus),Lepomis macrochirus (Bluegill) and Oncorhynchus mykiss (Rainbow Trout).For sea lamprey Larval lampreys varied from 3 to 5 inches in total length and for other two fish speciesfingerling size,4 inches or slightly less in length. Larval lampreys were collected by means of an electric shocker in the Ocqueo River, Presque Isle County, Michigan, and were held in running water in aquaria and small "races" under conditions which simulated their natural stream habitat. The aggregate test animals available, usually six in number, were placed together in a 10-liter glass battery containing 5 liters of water. These jars were provided with aeration through standard stone air - breakers (at near oxygen saturation) and were maintained at a constant temperature.

Sea Larvae in the control jar were exposed only to the water and physical conditions of the typical test container. Water used in all tests was drawn from a supply pumped directly from Hammond Bay of Lake Huron. pH varied from 7. 5 to 8.2, dissolved oxygen from 8.6 to 13.7 p. p. m and free CO₂from 5. 0 to 9. 0 p. p. m.

Acetone or ethyl alcohol was used frequently as a solvent exposed many test animals to concentrations as high as 5 parts per 1000 of these substances. Observations of each test were made approximately six times, at various intervals, during the 24-hour test period. At each observation, the condition of every test specimen was determined and recorded.

In experiment the no observed effect concentration i.e NOEC for sea lamprey (Petromyzon marinus),Lepomis macrochirus (Bluegill) and Oncorhynchus mykiss (Rainbow Trout)was observed to be 5 mg/l after 24 hours of exposure to3 phenylpropionylchloride(hydrocinnamoyl chloride).

Short-term toxicity to aquatic invertebrates

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 3 phenylpropionylchloride (Cas no. 645-45-4). Effect concentration i.e EC50 value was estimated to be 178.43 mg/l for Daphnia magna for 48 hrs duration. Based on the effect value, 3 phenylpropionylchloride (Cas no. 645-45-4) was likely to be non toxic to aquatic invertebrates, hence it can be considered to be not classified as per the CLP classification criteria for aquatic environment.

Toxicity to aquatic algae and cyanobacteria

Aim of this study was to evaluate the nature of chemical test chemical when comes in contact with the test organism Desmodesmus subspicatus (previous name: Scenedesmus subspicatus). Test was conducted according to the OECD guideline 201.The test solution 100 mg/l was prepared by dissolving yellow powder in OECD growth medium. Effects on the growth rate of the organism were studied (Changable). Various concentration were used.

With the test substance one positive control Potassium dichromate (K2Cr2O7) was also run simultaneously. After the exposure of chemical, effect concentration EC50 was calculated using nonlinear regression by the software Prism 4.0. Effect on the growth of algae was determine after an exposure period of 72 hrs.

The median effective concentration (EC50) for the test substance 3 -phenylpropinyl chloride, in algae was determined to be 56 mg/L on the basis of growth rate inhibition effects in a 72 hour study. Based on the EC50 value, indicates that the substance is likely to be hazardous to aquatic algae and can be be classified as aquatic chronic 3 category as per the CLP criteria.

Additional information

Short-term toxicity to fish

Four studies including experimental result from peer reviewed journal and predicted data from validated tools for short term fish endpoint of test chemical 3 phenylpropionylchloride (Cas no. 645-45-4) with relevant read across which is structurally similar to target were summarised as follows:

First study from peer reviewed journal Spec.Sci.Rep.Fish.No.207, Fish Wildl.Serv., U.S.D.I., Washington, DC:157 p.82; 1957 suggest Observations on the toxic effect of compound were made on larvae of the sea lamprey (Petromyzon marinus),Lepomis macrochirus (Bluegill) and Oncorhynchus mykiss (Rainbow Trout).For sea lamprey Larval lampreys varied from 3 to 5 inches in total length and for other two fish speciesfingerling size,4 inches or slightly less in length. Larval lampreys were collected by means of an electric shocker in the Ocqueo River, Presque Isle County, Michigan, and were held in running water in aquaria and small "races" under conditions which simulated their natural stream habitat. The aggregate test animals available, usually six in number, were placed together in a 10-liter glass battery containing 5 liters of water. These jars were provided with aeration through standard stone air - breakers (at near oxygen saturation) and were maintained at a constant temperature. In the control jar test species were exposed only to the water and physical conditions of the typical test container. Water used in all tests was drawn from a supply pumped directly from Hammond Bay of Lake Huron. pH varied from 7. 5 to 8.2, dissolved oxygen from 8.6 to 13.7 p. p. m and free CO2from 5. 0 to 9. 0 p. p. m. Acetone or ethyl alcohol was used frequently as a solvent exposed many test animals to concentrations as high as 5 parts per 1000 of these substances. Observations of each test were made approximately six times, at various intervals, during the 24-hour test period. At each observation, the condition of every test specimen was determined and recorded. In experiment the no observed effect concentration i.e NOEC for sea lamprey (Petromyzon marinus),Lepomis macrochirus (Bluegill) and Oncorhynchus mykiss (Rainbow Trout)was observed to be 5 mg/l after 24 hours of exposure to 3 phenylpropionylchloride(hydrocinnamoyl chloride).

Using the EPI Suite ECOSAR version 1.11, the short term toxicity on fish was predicted for test substance 3 phenylpropionylchloride (CAS no.645-45-4) on the basis of effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 243.714 mg/l for fish for 96 hr exposure duration.

Target results assist by experimental result from another peer reviewed journal Spec.Sci.Rep.Fish.No.207, Fish Wildl.Serv., U.S.D.I., Washington, DC:157 p.; 1957 of read across chemical methyl phenylacetate (Cas no. 101-41-7) which suggest In short term fish toxicity the no observed effect concentration (NOEC) value of Methyl phenylacetate in fish[Oncorhynchus mykiss] in a 24 hr study was observed to be 5 mg/L.

Above aquatic classification support by one another read across chemical benzyl acetate (Cas no. 140-11-4) which indicate In experimental study from peer reviewed journal (U.S.Fish.Wildl.Serv., Sp.Sci.Rep.- Fish.No.471, Washington, D.C.: 124 p., 1963)Short term toxicity study to Cyprinus carpio was carried out for 44 hrs.Test was performed under flow through conditions.After exposure of test animal to different dose conc. i.e, at 68, 130 and 146 mg/l of test chemical benzyl acetate, no effects were observed on the test animal. Thus, the NOEC value was consider to be 146 mg/l respectively.

Thus based on the all available lethal concentrations which is in the range 146 mg/l to 243.714 mg/l of target and read across chemicals and NOEC was 5 mg/l give the conclusion that test substance 3 phenylpropionylchloride (Cas no. 645-45-4) was likely to be non toxic to fish as it not exceed the classification criteria, hence it can be considered to be not classified as per the CLP regulation.

Short-term toxicity to aquatic invertebrates

Five studies including predicted data from validated tools and experimental data from authorative database for short term aquatic invertebrate’s endpoint of test chemical 3 phenylpropionylchloride (Cas no. 645-45-4) with relevant read across which is close to target using log Kow as primary descriptor were summarised as follows:

 

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, which indicate the short term toxicity on aquatic invertebrates was predicted for 3 phenylpropionylchloride (Cas no. 645-45-4) and the Effect concentration i.e EC50 value was estimated to be 178.43 mg/l for Daphnia magna for 48 hrs duration.

 

Similarly prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to aquatic invertebrates was predicted to be 134.935 mg/l for 3 phenylpropionylchloride in 48 hrs.

 

Above both predicted results of target assist by experimental result of read across chemical 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridine carboxylate (Cas no.81334-34-1) authorative database i.e ECOTOX database indicate Short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with 1 ins age.Test in fresh water media with static condition. During the experiment, the EC50 value for 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridine carboxylate (Cas no.81334-34-1)was determined to be 100 mg/l on the basis of mobility.

 

Again from ECOTOX database for another read across 3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo- 1H-imidazol-2-yl]-5-ethyl- (Cas no.81335-77-5) indicate Short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with <24 h age.Test in fresh water media with static condition. During the experiment, the EC50 value for 3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo- 1H-imidazol-2-yl]-5-ethyl- (Cas no.81335-77-5)was determined to be 110 mg/l on the basis of mobility.

Same data source (ECOTOX database) for one another read across chemical (RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methoxymethylnicotinic acid (Cas no.114311-32-9) indicate Short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with <24 h age.Test in fresh water media with static condition. During the experiment, the EC50 value for (RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methoxymethylnicotinic acid (Cas no.114311-32-9)was determined to be 122 mg/l on the basis of mobility.

Thus based on the all available effect concentrations which is in the range of 100 mg/l to 178.43 mg/l for target and read across chemicals give the conclusion that test substance 3 phenylpropionylchloride (Cas no. 645-45-4) was likely to be non toxic to aquatic invertebrates as it not exceed the classification criteria, hence it can be considered to be not classified as per the CLP regulation.

Toxicity to aquatic algae and cyanobacteria

Aim of this study was to evaluate the nature of chemical test chemical when comes in contact with the test organism Desmodesmus subspicatus (previous name: Scenedesmus subspicatus). Test was conducted according to the OECD guideline 201.The test solution 100 mg/l was prepared by dissolving yellow powder in OECD growth medium. Effects on the growth rate of the organism were studied (Changable). Various concentration were used.

With the test substance one positive control Potassium dichromate (K2Cr2O7) was also run simultaneously. After the exposure of chemical, effect concentration EC50 was calculated using nonlinear regression by the software Prism 4.0. Effect on the growth of algae was determine after an exposure period of 72 hrs.

The median effective concentration (EC50) for the test substance 3 -phenylpropinyl chloride, in algae was determined to be 56 mg/L on the basis of growth rate inhibition effects in a 72 hour study. Based on the EC50 value, indicates that the substance is likely to be hazardous to aquatic algae and can be be classified as aquatic chronic 3 category as per the CLP criteria.