3-phenylpropyl acetate

Endpoint summary

Additional information

Short-term toxicity to fish:

Predicted model data and experimental study results of short term toxicity to fish for the target chemical 3-phenylpropyl acetate (CAS No. 122-72-5) with respective read across were reviewed to summarize the following information:

 

In key study the 96 hrs aquatic toxicity study was predicted to assess toxic effects of the test compound 3-phenylpropyl acetate (CAS No. 103-52-6) and the result were predicted (SSS QSAR Prediction model, 2016). The study was based on the effects of the test compound on Danio rerio fish in a static fresh water system. The predicted data suggests the lethal concentration (LC50) for the test compound was estimated to be 73.290802002 mg/l on the basis of mortality effect.     

  

Other predicted model (ECOSAR v1.1 model, 2016) for target compound 3-phenylpropyl acetate indicate the study which is based on the effects of the test compound on fish in fresh water system. The predicted data suggests the lethal concentration (LC50) was estimated to be 16.249 mg/l on the basis of mortality effect.

 

Thus, based on above predicted lethal concentrations, it can be concluded that test chemical 3-phenylpropyl acetate considered as toxic to fish and thus can be classified as aquatic chronic category 3. Since the chemical 3-phenylpropyl acetate is readily biodegradable in nature it is considered as non-toxic to fish and thus cannot be classified as hazardous as per the CLP criteria.

From peer reviewed journal for read across tert-Butyl acetate (Cas no.540-88-5) Indicate 96 hrs toxicity study was conduct for test substance tert-Butyl acetate on fish Pimephales promelas (Fathead Minnow) by bioassay method.During study 0, 90.8,182,272,363 and 454 mg/l nominal concentrations with 44.8 mg/L CaCO3 hardness, 25 deg.C test temp. , 7.5 Ph, 6.7 mg/L-dissolved oxygen and ALKALINITY: 43.3 mg/L CaCO3 was used in static freshwater.High performance liquid chromatography was used for analytical analysis and The Spearman-Karber method for statistical analysis.In experimental the lethal concentration (LC50) for test substance tert-Butyl acetate was observed to be 327 mg/l with confidence limit 296-362.

Whereas experimental study for read across chemical Benzyl acetate (Cas no. 140-11-4) indicates 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. (U.S.Fish.Wildl.Serv., Sp.Sci.Rep.- Fish.No.471, Washington, D.C.: 124 p., 1963)

 

And other read across chemical Methyl phenylacetate (Cas no. 101-41-7) indicate 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.( Spec.Sci.Rep.Fish.No.207, Fish Wildl.Serv., U.S.D.I., Washington, DC:157 p.)

 

Thus, based on above results, it can be concluded that the target chemical 3-phenylpropyl acetate (CAS No. 122-72-5) can be considered as non-toxic to fish and thus cannot be classified as hazardous as per the CLP criteria.

Short term toxicity to aquatic invertebrates:

Various predicted studies and read across study for the3-Phenylpropyl acetate(122-72-5)were reviewed to summarize the following information: 

48 hrs aquatic toxicity studies (SSS QSAR prediction model, 2016) were conducted to assess toxic effects of3-Phenylpropyl acetate (122-72-5)and the results were predicted. The study was based on the effects of the test compound on the Daphnia magna in a static fresh water system. The predicted data suggests the effective concentration (EC50) for the3-Phenylpropyl acetate (122-72-5)wasestimated to be 55.789146423 mg/Lon the basis of intoxication at 20 degree C. As the3-Phenylpropyl acetate (122-72-5)considered being hazardous to aquatic invertebrates since the chemical was readily biodegradable and can be considered to be not classified as per the CLP regulations.

48 hrs aquatic toxicity studies(EPI suite, ECOSAR version 1.1, 2016) were conducted to assess toxic effects of the3-Phenylpropyl acetate (122-72-5)and the results were predicted. The study was based on the effects of the test compound on the Daphnia magna in a static fresh water system. The predicted data suggests the lethal concentration (LC50) for3-Phenylpropyl acetate (122-72-5)was estimated to be 10.178mg/l.As the 3-Phenylpropyl acetate (122-72-5) considered being hazardous to aquatic invertebrates since the chemical was readily biodegradable and can be considered to be not classified as per the CLP regulations.

 

A short term toxicity to aquatic invertebrates study (Metsulfuron Methyl - Human Health and Ecological Risk Assessment– Final Report, 2005 ) on read across chemical Metsulfuron-methyl (74223-64-6) was performed in daphnia magna for 48 hrs in static test conditions in which no aeration given. The nominal concentrations used were 0, 5, 25, 50, 100, or 150 mg/l having 10 daphnids in each vessel with DMF used as a positive control. After the experiment, the no mortality was observed and EC 50 and NOEC value for Metsulfuron-methyl (74223-64-6) of short term toxicity to aquatic invertebrates was determined to be >150 mg/l and 150 mg/l.

From the above report for same read across chemical (Metsulfuron-methyl (74223-64-6)) another study of short term toxicity to aquatic invertebrates was performed in daphnia magna for 48 hrs in static test conditions. The nominal concentrations used were 0; NaOH control, 100, 130, 180, 240, 320, 420, 560, 750, or 1000mg/l having 10 daphnids in each vessel with NaoH was used as a positive control. In replicate exposure chambers, exposure to 750 mg/L caused 60% and 80% immobility after 48 hours, while exposure to 1000 mg/L caused 90% and 100% immobility. After the experiment, the EC 50 and NOEC value for Metsulfuron-methyl (74223-64-6) of short term toxicity to aquatic invertebrates was determined to be 720 mg/l and 420 mg/l. Based on the result, Metsulfuron-methyl (74223-64-6) was considered to be not hazardous to aquatic invertebrates and can be considered to be not classified chemical as per the CLP regulations.

One more read across chemical name benzyl bromoacetate (5437-45-6) was studied in daphnia magna for 48 hr at concentration from 0.23- 0.25 mg/l. From the study the EC 50 value was determined to be 0.23 mg/L on the basis of intoxication effect resulting in immobility. As the chemical was considered to be toxic to aquatic invertebrates but as the substance is readily biodegradable, so it can be considered that the benzyl bromoacetate (5437-45-6) can be considered to be not classified to aquatic invertebrates as per the CLP regulations.

Based on the above prediction values and read across chemical Metsulfuron-methyl (74223-64-6) and benzyl bromoacetate (5437-45-6) studies, it can be concluded that the 3-Phenylpropyl acetate (122-72-5) was considered to be hazardous to aquatic invertebrates but as the substance is readily biodegradable and result of read across chemical also suggested that the 3-Phenylpropyl acetate (122-72-5) can be considered to be not classified to aquatic invertebrates as per the CLP regulations.

Toxicity to aquatic algae and cyanobacteria

Various predicted data for the target chemical 3-Phenylpropyl acetate(CAS No. 122-72-5) and the study for its read across substancewere reviewed to summarize the following information:

 

72 hrs aquatic toxicity study was predicted to assess toxic effects of the test compound 3-Phenylpropyl acetate (CAS no. 122 -72 -5) and the result were predicted (SSS QSAR Prediction Model, 2016). The study was based on the effects of the test compound on Pseudokirchnerella subcapitata in a static fresh watersystem. The predicted data suggests the effective concentration (EC50) for the test compound 3-Phenylpropyl acetate (CAS no. 122 -72 -5) was estimated to be 55.548 mg/l on the basis of growth rate. Thus, based on this value, it can be concluded that the test chemical 3-Phenylpropyl acetate can be considered as toxic to aquatic organisms and thus can be classified as aquatic chronic cateogry 3. Since the test chemical is readily biodegradable in nature, chemical 3-Phenylpropyl acetate can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

 

Based on the QSAR prediction done using the EPI Suite ECOSAR version 1.10 (EPI Suite, 2016), the 96 hours EC50 was estimated to be 11.377 mg/l on green algae for substance 3-Phenylpropyl acetate (CAS no. 122 -72 -5) with growth inhibition effects. Thus, based on this value, it can be concluded that the test chemical 3-Phenylpropyl acetate can be considered as toxic to aquatic organisms and thus can be classified as aquatic chronic cateogry 3. Since the test chemical is readily biodegradable in nature, chemical 3-Phenylpropyl acetate can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

 

The effect of read across substance Methyl phenylacetate, CAS No. 101-41-7 was studied on the growth of fresh water green alga Chlorella vulgaris (UERL study report, Sustainability Support Services (Europe) AB, AT-025/101-41-7/2015, 2015).The study was conducted following OECD guideline 201- Alga growth inhibition test. The read across substance concentration chosen for the study were 6.25 mg/l, 12.5 mg/l, 25 mg/l, 50 mg/l, 100 mg/l and 200 mg/l were prepared using stock solution of Methyl phenylacetate using de-ionized water. The green alga was exposed to the test concentration for a period of 72 hours to observe average specific growth rate and % growth inhibition under the effect of read across substance. EC50 calculated graphically through probit analysis was observed to be 220.89 mg/l. Thus, based on this value, it can be concluded that the chemical Methyl phenylacetate can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

A 72 h algae inhibition test was conducted according to the OECD Guideline 201 (Alga, Growth Inhibition Test) (A.M. Api, et. al; 2015). Based on the effect on growth rate of the test organism, the 72 hrs EC50 value was determined to be 110 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the read across substance Benzyl acetate (CAS no. 140-11-4) can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

Short term toxicity to Scenedesmus subspicatus (green algae) study was carried out for 30 or 60 mins (Monika Nendzal and Andrea Wenzel, 2006). The study was based on the effects of the read across compound tert-Butyl acetate (CAS no. 540-88-5) on Scenedesmus subspicatus in a static fresh water system. Inhibition of photosynthesis (EC50) was determined from effects on O2-production in unicellular green algae Scenedesmus subspicatus, cultured according to OECD-Guideline No. 201 [20]. 5 ml of algae suspension (2 million cells/ml) were collected on a filter paper disk (diameter 13 mm). After incubation in test solution for 30 or 60 min, the disk was placed on top of the electrode of the measuring chamber (PHOSY-Mess 2000, Specht, Germany). The Clark-electrode was placed in the measuring chamber (25°C, 100% exposure (ca. 1.9 klux), measuring solution: 0.05 M KHCO3). After a dark phase of 5 min (O2 fell to nearly 0 mg/l), the O2-production [mg/l] was recorded for 14 min.

On the basis of inhibition of photosynthesis of the test organism Scenedesmus subspicatus (green algae), the EC50 value was determined to be 1500 mg/l, respectively. Thus, based on this value, it can be concluded that the substance tert-Butyl acetate can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

Short term toxicity to Chlorella zofingiensis (green algae) study was carried out for 24 hrs (GSBL database, 2016). The study was based on the effects of the read across compound tert-Butyl acetate (CAS no. 540-88-5) on Chlorella zofingiensis in a static fresh water system. On the basis of assimilation of the test organism Chlorella zofingiens is (green algae),the 24 hr EC10 and EC50 value was determined to be 280 and 1300 mg/l, respectively. Thus, based on this value, it can be concluded that the substance tert-Butyl acetate can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

 

Based on the overall reported results for target and its read across substance, it can be concluded that the test substance 3-Phenylpropyl acetate can be considered asnon-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

 

Toxicity to microorganisms:

Predicted model data and Experimental study result of toxicity to micro organism for the target chemical 3-phenylpropyl acetate (CAS No. 122-72-5) were reviewed to summarize the following information:

 

From predicted model the 48 hrs aquatic toxicity study was predicted to assess toxic effects of the test compound 3-phenylpropyl acetate (CAS No. 122-72-5) and the result were predicted (SSS QSAR Prediction model, 2016). The study was based on the effects of the test compound on Tetrahymena pyriformis micro organism in a static fresh water system. The predicted data suggests the Inhibition growth concentration (IGC50) for the test compound was estimated to be 221.285598755 mg/l on the basis of growth inhibition effect.     

And read across methyl phenylacetate (Cas no. 101-41-7) in experimental study indicate that the impairment growth concentration (IGC50) of Methyl phenylacetate in microorganism [Tetrahymena pyriformis] in a 48 hr study on the basis of growth inhibition effect using a short-term, static protocol was found to be 377 mg/L. (Toxicology methods; Vol. 7, No. 4; Pages 289-309; 1997)

 

Thus based on the above available studies it is concluded that the test substance 3-phenylpropyl acetate (CAS No. 122-72-5) have no concern for aquatic toxicity.