Allyl propionate

Endpoint summary

Description of key information

Short-term toxicity to fish

On the basis of EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to fish was predicted to be 170.80 mg/l for Allyl propionate in 96 hrs. Based on the LC50 value, it can be concluded that the substance Allyl propionate as not toxic to aquatic environment and thus can be considered “not classified” per the CLP criteria.

Short-term toxicity to aquatic invertebrates

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on invertebrate was predicted 2-Propenyl Propanoate (CAS: 2408-20-0). Effect concentration i.e EC50 value was estimated to be 140.96 mg/l for Daphnia magna for 48 hrs duration. It was concluded that the 2-Propenyl Propanoate (CAS: 2408-20-0) was likely to be not toxic to aquatic invertebrate, hence it can be considered to be “not Classified” as per the CLP classification criteria for aquatic environment.

Toxicity to aquatic algae and cyanobacteria

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on algae was predicted 2-Propenyl Propanoate (CAS: 2408-20-0). Effect concentration i.e EC50 value was estimated to be 189.73 mg/l for Pseudokirchneriella subcapitata for 72 hrs duration. It was concluded that the 2-Propenyl Propanoate (CAS: 2408-20-0) was likely to be not toxic to aquatic algae hence it can be considered to be “not Classified” as per the CLP classification criteria for aquatic environment.

Additional information

Short-term toxicity to fish

On the basis of EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to fish was predicted to be 170.80 mg/l for Allyl propionate in 96 hrs. Based on the LC50 value, it can be concluded that the substance Allyl propionate as not toxic to aquatic environment and thus can be considered “not classified” per the CLP criteria.

Short-term toxicity to aquatic invertebrates

Following studies include the predicted data and experimental study for the target chemical and structurally similar read across to conclude the 2-Propenyl Propanoate (CAS: 2408-20-0) toxicity towards aquatic invertebrate is summarized as follows:

 

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on invertebrate was predicted 2-Propenyl Propanoate (CAS: 2408-20-0). Effect concentration i.e EC50 value was estimated to be 140.96 mg/l for Daphnia magna for 48 hrs duration. It was concluded that the 2-Propenyl Propanoate (CAS: 2408-20-0) was likely to be not toxic to aquatic invertebrate, hence it can be considered to be“not Classified”as per the CLP classification criteria for aquatic environment.

 

Similar predicted data from Danish (Q)SAR Database for the target chemical is available done by Using three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database, the effective concentration(EC50) at 48 hrs for 2-Propenyl Propanoate (CAS: 2408-20-0) in Daphnia magna is estimated to be 123.46 mg/L. On the basis of the estimated value it can be concluded that the 2-Propenyl Propanoate (CAS: 2408-20-0) is not toxic to the aquatic algae.

 

The above predicted data is supported by the experimental study of structurally similar read across Ethyl propionate (CAS: 105-37-3) from publication Water Research 1989, suggests that the Short-term toxicity to aquatic invertebrates test was carried out for 24 hr under static condition to study the effects of Ethyl propionate on aquatic invertebrate. The Effective concentration EC50 to 50% of Daphnia magna is 286 mg/l at 24 hr. Intoxication (Immobile) effect was measured. It can be concluded that the Ethyl propionate is not toxic to the aquatic environment.

 

Similar experimental study for the another structurally similar read acrossPentyl lactate (CAS: 6382-06-5) from publication, Chemosphere 1998 indicates that the Short-term toxicity to aquatic invertebrates test was carried out for 48Hour(s) under static condition to study the effects of Pentyl lactate on aquatic invertebrate. The Effective concentration EC50 to 50% of Daphnia magna is 238 mg/l. Decreasing trend of Mobility was measured as effects. It can be concluded that the Pentyl lactate is not toxic to the aquatic environment.

 

Thus based on the effect concentrations which is in the range 123.46 mg/l to 286 mg/l give the conclusion that test substance 2-Propenyl Propanoate (CAS: 2408-20-0) was likely to be not toxic to aquatic invertebrate at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be“not classified”as per the CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria

Following studies include the predicted data and experimental study for the target chemical and structurally similar read across to conclude the 2-Propenyl Propanoate (CAS: 2408-20-0) toxicity towards aquatic algae is summarized as follows:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on algae was predicted 2-Propenyl Propanoate (CAS: 2408-20-0). Effect concentration i.e EC50 value was estimated to be 189.73 mg/l for Pseudokirchneriella subcapitata for 72 hrs duration. It was concluded that the 2-Propenyl Propanoate (CAS: 2408-20-0) was likely to be not toxic to aquatic algae.

The above predicted data is supported by the experimental study of structurally similar read acrossethyl butyrate (CAS:105-54-4) from publication Water research, 1980 suggests that theShort term toxicity to Entosiphon Sulcatum study was carried out for 72 hrs. The study was based on the effects of the test compound Ethyl butyrate on Entosiphon Sulcatum in a static fresh water system. Test chemical of known concentration was prepared in sterile double distilled water. For maintenance of the test strain of Entosiphon sulcatum,continuously inoculate the expected required number of stock cultures at 72 h or 96 h intervals. For this, mix 8 ml of stock solution I and 8 ml of sterile double-distilled water in 300 -ml Erlenmeyer flasks stoppered with metal caps and add 2 ml of a stock culture and 2 ml of the adjusted bacterial suspension for Entosiphon stock cultures. Store stock cultures at 25°C. Before inoculation control the flasks containing the stock cultures by means of an inverse microscope. Escherichia coli was used as a feeding material of the test organism Entosiphon sulcatum.

Prepare two parallel dilution series in 300-ml Erlenmeyer flasks stoppered with metal caps. The dilutions will contain 1 part v/v each of pollutant solution in 2⁰to 2¹⁴partsv/vof mixture. Test vessel contain the known conc. of chemical and test organism. Leave the test culture at 25ᵒC for 72 hrs. Before measurement, control each flask by means of an inverse microscope. Add 10% of a 1.1% NaNO3 solution in double-distilled water filtered through a membrane filter (pore size 0.2/µm), and determine the number of protozoaby means of a cell counter. Pollutant concentrations at which the onset of inhibitory action was observed have been obtained by mathematical evaluation of counts. The term counts corresponds to impulses indicated by the coulter counter. Based on the onset of the inhibitory effect on population of the test organism Entosiphon Sulcatum, the 72 hr LOEC value was determined to be 236 mg/lIt can be conlcuded from the value that the ethyl butyrate is not toxic to the aquatic algae.

Similar experimental study for another structurally similar read acrossMethyl propionate(CAS; 554-12-1) from publication water research 1990, inidicates that In the Scenedesmus cell multiplication inhibition test, hazardous substances were examined to determine the effect concentrations (EC). The tests were conducted in accordance with the test procedure DIN 38 412, Part 9 (draft standard). The green alga Scenedesmus subspicatus CHODAT was cultivated as the test organism. Decreasing trend of Population changes effect were measured.

The Effective concentration EC50 to 50% of Scenedesmus subspicatus is 500 mg/l. It can be concluded that the Methyl propionate is not toxic to the aquatic algae.

Thus based on the effect concentrations which is in the range 189.73 mg/l to 500 mg/Lgive the conclusion that test substance 2-Propenyl Propanoate (CAS: 2408-20-0) was likely to be not toxic to aquatic algae at environmentally relevant concentrations and applying the weight of evidence approach it can be considered to be“not classified”as per the CLP classification criteria.