Geranyl butyrate

Endpoint summary

Description of key information

Short-term toxicity to fish:

The predicted data from QSAR model suggests the lethal concentration (LC50) for the Geranyl butyrate was estimated to be 21.381528854 mg/L on fish Danio rerio on the basis of mortality effect in static freshwater condition. Thus, based on lethal concentration, it can be concluded that the test chemical Geranyl butyrate can be considered as toxic to fish and thus can be classified as aquatic chronic category 3.Since the test chemical is readily biodegradable in nature it 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 aquatic inveretbrates:

The median effective concentration (EC50) for the test substance Geranyl butyrate, in Daphnia magna was determined to be 97.3 mg/L on the basis of mobiity inhibition effects in a 48 hour study. Based on the this value, indicates that the substance is likely to be hazardous to aquatic invertebrates and can classified in aquatic chronic 3 category. But as the chemical was readily biodegradable in water thus on that basis chemical consider as nontoxic and not be classified as per the CLP criteria.

Toxicity to aquatic algae and cyanobacteria:

Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance Geranyl butyrate. Test was performed according to OECD Guideline 201. The stock solution (200 g/L) was prepared by dissolving colourless liquid in acetone. Test solutions of required concentration were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture. Substance tested at the 0, 0, 33, 50, 75, 113, 170 mg/l nominal concentration. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance Geranyl butyrate, in Desmodesmus subspicatus was determined to be 100.3 mg/L with 95% CI was 83.1 - 121.5 mg/l.

This value indicates that the substance is likely to be non-hazardous to aquatic algae and cannot be classified as toxic as per the CLP criteria.

Toxicity to microorganisms:

From predicted model the 48 hrs aquatic toxicity study was predicted to assess toxic effects of the test compound Geranyl butyrate (CAS no.106-29-6) 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 2.33820653 mg/l on the basis of growth inhibition effect. Since the test chemical is readily biodegradable in nature it can be considered as the test substance Geranyl butyrate has no concern for aquatic toxicity.     

Additional information

Short-term toxicity to fish:

Predicted model data and experimental study results of short term toxicity to fish for the target chemical Geranyl butyrate (CAS No. 106-29-6) 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 Geranyl butyrate (CAS No. 106-29-6) 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 21.381528854 mg/l on the basis of mortality effect.     

  

Other predicted model (ECOSAR v1.1 model, 2016) for target compound Geranyl butyrate 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 0.145 mg/l on the basis of mortality effect.

 

Thus, based on above predicted lethal concentrations, it can be concluded that test chemical Geranyl butyrate considered as toxic to fish and thus can be classified as aquatic chronic category 1 and 3. Since the chemical Geranyl butyrate 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.

Experimental study (Journal of Hazardous Materials, 1 (1975/77) 303-318; 1977) for read across Butyl acetate (Cas no. 123-86-4) Indicate the short term fish toxicity bioassay the lethal concentration (LC50) of test substance Butyl acetate for saltwater fish species Menidia beryllina was examine. In experiment 0,100,132,180,240 and 320 mg/l concentrations was used with experimental condition 55 mg/L CaCO3 hardness,7.6 to 7.9 pH and 20 deg.C test temp.in static saltwater.During experiment the lethal concentration was observed to be 185 mg/l with exposure period 96 hrs. and on the basis of mortality effects. Thus Based on the lethal concentration it is concluded that the test substance Butyl acetate was non toxic to fish and not consider for the aquatic classification as per the CLP criteria.

Whereas other 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)

 

Thus, based on above results, it can be concluded that the target chemical Geranyl butyrate (CAS No. 106-29-6) 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 inveretbrates:

The first key study used from the ABITEC lab report 2017 for determination of toxicity of chemical. Aim of this study was to assess the short term toxicity of Geranyl butyrate (106 -29 -6) to aquatic invertebrates daphnia magna. Study was performed according to the OECD guideline in a static system for the total exposure period of 48 hrs. Acetone used as avehicle in which chemical was dissolved. The stock solution 200 g/L was prepared by dissolving colourless liquid in acetone. Test solutions of required concentrationas were prepared by mixing the stock solution of the test sample with reconstituted test water. Test conducted at 0, 0, 10, 20, 40, 80, 160 mg/l nominal concentrations. Effects on immobilisation were observed for 48 hours. 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. The median effective concentration (EC50) for the test substance Geranyl butyrate, in Daphnia magna was determined to be 97.3 mg/L on the basis of mobiity inhibition effects in a 48 hour study. Based on the this value, indicates that the substance is likely to be hazardous to aquatic invertebrates and can classified in aquatic chronic 3 category. But as the chemical was readily biodegradable in water thus on that basis chemical consider as nontoxic and not be classified as per the CLP criteria.

Toxicity to aquatic algae and cyanobacteria:

Various studies including experimental data for the target chemical Geranyl butyrate (CAS No. 106 -29 -6) and the study for its read across substance were reviewed to summarize the following information:

In a first key study for the target chemical was taken from the ABITEC report, 2017. Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance Geranyl butyrate. Test was performed according to OECD Guideline 201. The stock solution (200 g/L) was prepared by dissolving colourless liquid in acetone. Test solutions of required concentration were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture. Substance tested at the 0, 0, 33, 50, 75, 113, 170 mg/l nominal concentration. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance Geranyl butyrate, in Desmodesmus subspicatus was determined to be 100.3 mg/L with 95% CI was 83.1 - 121.5 mg/l. This value indicates that the substance is likely to be non-hazardous to aquatic algae and cannot be classified as toxic 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.

 

Similarly study was also conducted on the read across chemical (28553 -12 -0). Short term toxicity to Selenastrum capricornutum (green algae) study was carried for 96 hrs (William J. Adams, et. al; 1995). Phthalate ester test solutions were prepared by mixing the appropriate amount of test chemical with the algal growth medium and stirring for 1 hr to provide the highest test concentration. Dilutions of this concentrations were made to provide additional test concentrations. Test organism used for the study was Selenastrum capricornutum. Test organism was acclimated to the appropriate temperature before being tested. The study was based on the effects of the test compound on Selenastrum capricornutumin a static fresh water system. Study was performed at a constant light intensity of 60 to 70.5µE/m2s and at a temperature and pH of 22 - 24°C and 7.6 -7.9, respectively. Range finding tests were performed using the test chemical to determine the concentration range to test for each test organism. If the range-finding test indicated that toxicity would occur at a concentration below the water solubility of the test chemical, definitive test were done using five concentrations and a control. If the range-finding test indicated that no toxicity would occur at levels upto the water solubility of the chemical, a test with a single concentration was performed at or near the water solubility limit of the chemical. Temperature was maintained in all tests by a temperature-controlled waterbath to within ± 1°C. Each test vessel was placed on an orbital shaker for the duration of the experiment, and algal assays continued until there was less than 5% change in the daily in vivo chlorophyll-a measurements for a maximum of 10 d. Cell counts were performed at the end of the tests. EC50 value was calculated using a standard computerized approach that incorporated the moving average, binomial, and probit methods. The method that provided the best data fit and smallest 95% confidence interval was used to calculate the reported values. For analytical measurements, the stock solutions prepared for each test concentration was sampled in duplicate before it was poured into the test vessels. At the end of the study, replicate test solutions were combined and duplicate samples were analyzed. Samples were extracted three times with 50 ml of hexane for 2 to 3 mns. Extracts were combined and the volume was reduced using a Kuderna-Danish® apparatus. The final concentrate was stored in a 10-ml serum vial at 0° until the analysis was performed. Sample extracts were analyzed by gas chromatography (GC). Typically, the following instruments and conditions were used: Hewlett-Packard models 5880 and 5840 and Perkin-Elmer model 3920 columns: 6’ × 0.25’’ (o. d.) × 2 mm (i. d.); column packing was either 3% OV-210 on 100/120 Chromsorb WHP; or 3% OV-1 on 100/120 Gas Chrom Q. the carried gas was 95% argon and 5% methane; the injection volume was 2 to 3µl when automated or 3 to 5µl manual; and the detector was an electron capture detector. Injector column, and detector temperatures varied from 165 to 350°C, depending on the test chemical. Based on the cell count of the test organism Selenastrum capricornutum (green algae), the 96 hr EC50 value was determined to be > 1.8 mg/l, respectively. Thus, based on this value, it can be concluded that the substance Diisononyl phthalate can be considered as toxic to aquatic organisms and thus can be classified as aquatic chronic category 2. Since the chemical is readily biodegradable in nature, Diisononyl phthalate 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 Geranyl butyrate can be considered as non-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 Geranyl butyrate (CAS no.106-29-6) 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 Geranyl butyrate (CAS no.106-29-6) 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 2.33820653 mg/l on the basis of growth inhibition effect. Since the test chemical is readily biodegradable in nature it can be considered as the test substance Geranyl butyrate has no concern for aquatic toxicity.     

And read across Butyl acetate (Cas no. 123-86-4) in experimental study indicate that the toxicity study for micro organism Uronema parduczi (Ciliate) was conduct for exposure period 20 hrs. the effect concentration was observed to be 574 mg/l on the basis of population effect. (ECOTOX database; 2016)

Thus based on the above available studies it is concluded that the test substance Geranyl butyrate (CAS no.106-29-6) have no concern for micro organism toxicity.

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