Isopentyl propionate

Endpoint summary

Description of key information

Short term toxicity to fish:

Based on nominal concentrations, experimental median lethal Concentrations [LC-50 (96 h)] for CAS No.105-68-0 on Zebra Fish Danio rerio was determine to be 4.75 mg/l. 

Short term toxicity to aquatic invertebrates:

Based on the average value of both models (Leadscope Enterprise model and SciMatics SciQSAR model), the result were predicted in Battery model. Based on the QSAR prediction done using the Danish (Q)SAR Database, the 48 hours EC50 was estimated to be 108.35 mg/l on Daphnia Magna for substance Isoamyl propionate with immobilization effects. Thus based on this value it can be concluded that the substance cannot be classified as toxic as per the criteria of CLP regulation.

 

Toxicity to aquatic algae:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was predicted for Isoamyl propionate (105-68-0) 3-Methylbutyl propanoate. The EC50 value was estimated to be 183.75277 mg/l when Isoamyl propionate exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 48hrs. Based on the EC50 value it can be consider to be concluded that the chemical Isoamyl propionate was nontoxic to aquatic invertebrates and cannot be classified as toxic as per the CLP classification criteria.

Toxicity to microorganisms:

Muller Hinton agar medium in culture dishes (35*10mm) was used for the measurement of MIC. Various concentrations of fragrance materials were prepared in ethyl alcohol or DMSO depending on the solubility of the materials. The bacteria tested were pre-propagated with sensitivity test broth of NISSUI using shaking culture. The incubated mediums were diluted by 0.75% physiological saline to the microbial concentration of 10⁶CFU/ml. In the Muller Hinton agar medium containing fragrance material, 0.1ml of diluted culture solution was inoculated. MIC was determined as the concentration where no growth was observed after 24hrs at 37°C. The Minimum Inhibitory Concentration of Corynebacterium minutissimum (CM), Staphylococcus aureus (IAM-1011, (SA)),Staphylococcus epidermidis var. (SE) and Escherichia coli (ATCC 11775, (EC)) and Arthrobacter species was >2000 mg/l (2000ppm) (inoculum 10⁵CFU/plate) after 24 hours exposure to isoamyl propionate.

Additional information

Summarized result of toxicity of Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate on the growth and other activity of Fish, aquatic invertebrates, algae and cyanobacteria by considering the data for target as well as RA chemical which was selected on the basis of structure similarity are as follows:

Short term toxicty to fish:

Study was conducted to assess the effect of test chemical 3-Methylbutyl propanoateon the mortality of fish Danio rerio. Test conducted according to OECD Guideline 203 (Fish, Acute Toxicity Test). The test substance was soluble in water. Therefore, the test solution was prepared by dissolving 5 g of the test substance in 5 liters of potable water (passed through reverse osmosis system) with continuous stirring. This test solution was then added to the remaining three liters of water for achieving test concentrations of 100 mg/L and Zebra FishDanio rerio were exposed to these concentrations for 96 hours. Bowl aquaria containing 2 liters of potable water (passed through reverse osmosis system) were loaded with 8 fishes. A static procedure was used for the study and it was conducted in compliance with the OECD guideline 203. After 96 hours of exposure to test item (3-Methylbutyl propanoate) to various nominal test concentrations, LC50 was determine to be (4.75 ) mg/l . Based on the LC50, it can be consider that the chemical was hazardous and can be consider to be classified aq aquatic chronic 2 as per the CLP classification criteria.

Short term toxicity to aquatic invertebrates:

Based on the various experimental data and prediction data for the target chemical, study have been reviewed to determine the toxic nature of Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate on the growth of aquatic invertebrates. The studies are as mentioned below

In the first weight of evidence study for 3-Methylbutyl propanoate; Isoamyl Propionate (105-68-0) based on the average value of both models (Leadscope Enterprise model and SciMatics SciQSAR model), the result were predicted in Battery model. Based on the QSAR prediction done using the Danish (Q)SAR Database, the 48 hours EC50 was estimated to be 108.35 mg/l on Daphnia Magna for substance Isoamyl propionate with immobilization effects. Thus based on this value it can be concluded that the substance cannot be classified as toxic as per the criteria of CLP regulation.

 

Similarly in the second weight of evidence study for the Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate from QSAR, 2017 toxicity was measured. Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Daphnia magna was predicted for Isoamyl propionate (105-68-0) 3-Methylbutyl propanoate. The EC50 value was estimated to be 160.5157 mg/l when Isoamyl propionate exposed to Daphnia magna for 48hrs. Based on the EC50 value it can be consider to be concluded that the chemical Isoamyl propionate was nontoxic to aquatic invertebrates and cannot be classified as toxic as per the CLP classification criteria.

 

Similarly in the third weight of evidence study for the RA chemical Octyl Acetate (112-14-1) from ABITEC lab report 2017, Determination of the inhibition of the mobility of daphnids was carried out with the substance Octyl Acetate according to OECD Guideline 202. The test substance was tested at the limit concentration of 100 mg/l. Effects on immobilisation and growth inhibition were observed for 48 hours. The effective concentration (EC8) for the test substance, Octyl Acetate in Daphnia magna was determined to be 100 mg/L for immobilisation and inhibition effects where 8% daphnia inhibited. As the EC8 was at 100 mg/l, thus EC50 was greater than 100 mg/l. So on that basis chemical Octyl Acetate was consider to be not toxic. This value indicates that the substance Octyl Acetate is likely to be non-hazardous to aquatic invertebrates and cannot be classified as toxic as per the CLP criteria.

 

In the fourth weight of evidence study for the second RA chemical Ethylene glycol monoethyl ether acetate (111-15-9), j-check, 2016. Short term toxicity of study of 2-ethoxyethyl acetate to aquatic invertebrates daphnia magna was performed following OECD guideline 202. The test was performed for 48 hrs. After that the EC 50 value of Ethylene glycol monoethyl ether acetate (112-14-1) was determined to be 200 mg/l. Based on the result, the Ethylene glycol monoethyl ether acetate was considered to be not classified as toxic as per the CLP regulations.

As the chemical was readily biodegradable in water and EC50 was greater than 100 mg/l. Thus based on data obtain from various sources for target and RA chemicals, it can be concluded that the substance Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate is considered to be not toxic to aquatic environment and cannot be classified as toxic as per the criteria mentioned in CLP regulation.

Toxicity to aquatic algae:

Based on the various experimental data and prediction data for the target chemical, study have been reviewed to determine the toxic nature of Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate on the growth of aquatic algae. The studies are as mentioned below

In the first weight of evidence study for 3-Methylbutyl propanoate; Isoamyl Propionate (105-68-0) Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) was predicted for Isoamyl propionate (105-68-0) 3-Methylbutyl propanoate. The EC50 value was estimated to be 183.75277 mg/l when Isoamyl propionate exposed to Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) for 48hrs. Based on the EC50 value it can be consider to be concluded that the chemical Isoamyl propionate was nontoxic to aquatic invertebrates and cannot be classified as toxic as per the CLP classification criteria.

 

Similarly in the second weight of evidence study for the RA chemical Octyl Acetate (112-14-1) from ABITEC lab report 2017, Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance Octyl Acetate according to OECD Guideline 201. The test substance was dissolved in OECD growth medium and tested at the limit concentration of 100 mg/l. Effects on the growth rate of the organism were studied. The effective concentration (EC2.1) for the test substance, Octyl Acetate, in Desmodesmus subspicatus was determined to be 100 mg/L. As the limit test was performed at 100 mg/l where only 2.1% inhibition of algal cells was occurred. Thus it was estimated that the EC50 concentration was greater than 100 mg/l. Based on this EC2.1 % inhibition value and after comparing with CLP criteria for aquatic classification of the substance it is concluded that the substance Octyl Acetate does not exhibit toxicity to aquatic algae (Desmodesmus subspicatus) and cannot be classified as toxic as per the CLP classification criteria.

 

 

In the third weight of evidence study for the second RA chemical Ethylene glycol monoethyl ether acetate (111-15-9), j-check, 2016. Short term toxicity to algae study was carried out for 72 hrs. The study was performed according to OECD guideline 201 (Algal, Growth Inhibition Test). The study was based on the effects of the test compound on algae in a static fresh water system. Based on effect on AUG and growth rate of algae, the 72 hr. EC50 and NOEC value was determined to be > 1000 and 1000 mg/l, respectively. Thus, based on EC50 value, it can be concluded that the substance 2 -Ethoxyethyl acetate can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous, as per the CLP criteria.

In the fourth weight of evidence study for the RA chemical Isobutyl acrylate (106 -63 -8) ecotox, 2017. Short term toxicity study of Isobutyl acrylate on the growth of Scenedesmus Subspicatus (green algae). Study was carried out in static system for(>=49 - <=79) Minute(s). After the exposure of chemical with the green algae, no effect was observed on the population and photosynthesis of green algae. Based on the no inhibition of photosynthesis and population of green algae due to the Isobutyl acrylate, the NOEC was 250 mg/l. Based on the NOEC, it was consider that the chemical was nottoxic and can be consider to be not classified as toxic as per the CLP classification criteria.

 

Based on data obtain from various sources for target and RA chemicals, it can be concluded that the substance Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate is considered to be not toxic to aquatic environment and cannot be classified as toxic as per the criteria mentioned in CLP regulation.

Toxicity to microorganisms:

Muller Hinton agar medium in culture dishes (35*10mm) was used for the measurement of MIC. Various concentrations of fragrance materials were prepared in ethyl alcohol or DMSO depending on the solubility of the materials. The bacteria tested were pre-propagated with sensitivity test broth of NISSUI using shaking culture. The incubated mediums were diluted by 0.75% physiological saline to the microbial concentration of 10⁶CFU/ml. In the Muller Hinton agar medium containing fragrance material, 0.1ml of diluted culture solution was inoculated. MIC was determined as the concentration where no growth was observed after 24hrs at 37°C. The Minimum Inhibitory Concentration of Corynebacterium minutissimum (CM), Staphylococcus aureus (IAM-1011, (SA)),Staphylococcus epidermidis var. (SE) and Escherichia coli (ATCC 11775, (EC)) and Arthrobacter species was >2000 mg/l (2000ppm) (inoculum 10⁵CFU/plate) after 24 hours exposure to isoamyl propionate.

As the chemical was readily biodegradable in water and EC50 was greater than 100 mg/l. Based on data for the aquatic algae and invertebrates obtain from various sources for target and RA chemicals, it can be concluded that the substance Isoamyl Propionate (105-68-0) 3-Methylbutyl propanoate is considered to be not toxic to aquatic environment and cannot be classified as toxic as per the criteria mentioned in CLP regulation.