Nonan-2-one

Endpoint summary

Description of key information

Biodegradation in water

Biodegradation study was carried out for a period of 115 to 195 hrs evaluating the percentage biodegradability of test chemical 2 -Nonanone

(C. V. Marion and G. W. Malaney, 1963). Oxygen uptake study was carried out in the Warburg constant volume respirometer on the ability of Alcaligenes faecalis to oxidize aerobically test chemical 2 -Nonanone at a temp. of 20°C and pH of 7.0. Alcaligenes faecalis was used as a test inoculum obtained from University Department of Microbiology, Ohio state. The cells were grown in a medium having the following composition: Dextrose, 2.0 g; tryptone, 10.0 g; beef extract, 6.0 g; distilled water upto 1 liter. Incubation was at 32°C for 48 hrs. Using aseptic techniques, the cells were harvested, washed four times with sterile distilled water, adjusted to 5,000 mg/l with sterile diluent. The suspension was blended for 10 sec in a sterile blender. 10 ml of the cell suspension were added to each Warburg flask. Initial test substance conc. used for the study was 500 mg/l and conc. of the inoculum used was 2,500 mg/l, respectively. Each flask contained 1.0 ml of 20% KOH solution in the center well. The reaction compartment of the flask held 20 ml of a mixture containing 500 mg/l of test chemical and 2,500 mg/l of inoculums, with mineral salts as the diluents. Incubation was at 20°C for 115 – 195 hrs. Aseptic techniques were used throughout the experiment. A flask containing 2,500 mg/l of test inoculum served as a control for measurement of endogenous respiration of the organism. Air oxidation or volatility of the substance was measured in a flask containing 500 mg/l of substrate in the mineral salts diluents. Corrections for air oxidation or volatility were made when necessary. These air oxidation flasks also served as a partial check of oxygen uptake by contaminants introduced in the unsterilized air or with unsterilized substrates. When the substrate uptake curve fell below the curve for endogenous respiration (control), the result was interpreted as indicating some measure of inhibition of the organism by the substrate. It is assumed that such an inhibitory compound is resistant to oxidation by Alcaligenes faecalis. After a long lag period, the organism was not able to utilize the test chemical 2 -Nonanone. The chemical 2 -Nonanone remained uniformly resistant to oxidation by Alcaligenes faecalis. Thus, the test substance 2 -Nonanone was considered to be not readily biodegradable.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 2 -Nonanone (CAS No. 821 -55 -6). If released in to the environment, 27.5% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2-Nonanone in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 2-Nonanone in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.151%), indicates that 2-Nonanone is not persistent in sediment.

Biodegradation in soil

The half-life period of 2-Nonanone (CAS No. 821 -55 -6) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 67.7 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 2-Nonanone in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 2-Nonanone, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation: aquatic / sediment:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 2-Nonanone is 54.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-Nonanone is not expected to bio accumulate in the food chain.

Adsorption / desorption:

The Soil Adsorption Coefficient i.e Koc value of 2-Nonanone was estimated using EPI suite  KOCWIN Program (v2.00) as Koc 90.66 L/kg (log Koc = 1.957)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2-Nonanone has a Low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Additional information

Biodegradation in water

Total 3 studies (2 from peer reviewed journal and 1 study from secondary source) for the target compound 2-Nonanone(CAS No. 821-55-6) were reviewed for the biodegradation end point which are summarized as below:

In a key study from peer reviewed journal (C. V. Marion and G. W. Malaney, 1963) for target chemical2-Nonanone(CAS No. 821-55-6),biodegradation study was carried out for a period of 115 to 195 hrs evaluating the percentage biodegradability of test chemical 2 –Nonanone (CAS no. 821-55-6). Oxygen uptake study was carried out in the Warburg constant volume respirometer on the ability of Alcaligenes faecalis to oxidize aerobically test chemical 2 -Nonanone at a temp. of 20°C and pH of 7.0. Alcaligenes faecalis was used as a test inoculum obtained from University Department of Microbiology, Ohio state. The cells were grown in a medium having the following composition: Dextrose, 2.0 g; tryptone, 10.0 g; beef extract, 6.0 g; distilled water upto 1 liter. Incubation was at 32°C for 48 hrs. Using aseptic techniques, the cells were harvested, washed four times with sterile distilled water, adjusted to 5,000 mg/l with sterile diluent. The suspension was blended for 10 sec in a sterile blender. 10 ml of the cell suspension were added to each Warburg flask. Initial test substance conc. used for the study was 500 mg/l and conc. of the inoculum used was 2,500 mg/l, respectively. Each flask contained 1.0 ml of 20% KOH solution in the center well. The reaction compartment of the flask held 20 ml of a mixture containing 500 mg/l of test chemical and 2,500 mg/l of inoculums, with mineral salts as the diluents. Incubation was at 20°C for 115 – 195 hrs. Aseptic techniques were used throughout the experiment. A flask containing 2,500 mg/l of test inoculum served as a control for measurement of endogenous respiration of the organism. Air oxidation or volatility of the substance was measured in a flask containing 500 mg/l of substrate in the mineral salts diluents. Corrections for air oxidation or volatility were made when necessary. These air oxidation flasks also served as a partial check of oxygen uptake by contaminants introduced in the unsterilized air or with unsterilized substrates. When the substrate uptake curve fell below the curve for endogenous respiration (control), the result was interpreted as indicating some measure of inhibition of the organism by the substrate. It is assumed that such an inhibitory compound is resistant to oxidation by Alcaligenes faecalis. After a long lag period, the organism was not able to utilize the test chemical 2 -Nonanone. The chemical 2 -Nonanone remained uniformly resistant to oxidation by Alcaligenes faecalis. Thus, the test substance 2 -Nonanone was considered to be not readily biodegradable.

 

Another supporting biodegradation study was carried out for evaluating the percentage biodegradability of test chemical 2 –Nonanone (CAS no. 821-55-6) (Robert M. Gerhold and George W. Malaney, 1962). Activated sludge was used as test inoculums obtained from 3 treatment plants of different sizes and designs and fed by different sewage systems. Initial test substance conc. used for the study was 500 mg/l and conc. of the inoculum used was 2,500 mg/l, respectively. Warburg constant temperature respirometer was used as a test vessel. The suspended solid conc. was adjusted to 2,500 mg/l by removal of supernatant liquid or by addition of tap water.The sludge was not washed. No mineral salts were added. The sludge suspension was blended for 10 sec and 20 ml were pipetted into 125 ml Warburg flasks containing the test substance (substrate).  A control flask for measurement of endogenous respiration was included with each run. Readings were made for 24 hr at 0.5 to 5 hr interval, depending on the rate of oxygen uptake. The experimental results were plotted as accumulative oxygen uptake corrected for endogenous respiration. Test chemical was observed to be more resistant to oxidation by activated sludge. Thus, the chemical 2-Nonanone was considered to be not readily biodegradable in nature.

 

In an additional supporting data from secondary source (Robert Murray Gerhold, 1962) for the target chemical2-Nonanone(CAS No. 821-55-6), biodegradation study was carried out for evaluating the percentage biodegradability of test chemical 2 -Nonanone. Activated sludge was used as test inoculums obtained from 3 treatment plants of different sizes and designs and fed by different sewage systems. Initial test substance conc. used for the study was 500 mg/l and conc. of the inoculum used was 2,500 mg/l, respectively. Test chemical (substrates) easily soluble in water were made up in 0.1 per cent concentration with distilled water and stored at 6°C until needed.Warburg constant temperature respirometer was used as a test vessel. They were modified 125 ml Erlenmeyer flasks fitted with 1.5 ml center-wells and female ground glass joints. Warburg flasks were cleaned by the following procedure: (a) flasks were rinsed once with tap water, and dried In the 103°C oven; (b) flasks were washed with two rinses of chloroform to remove fats and greases, then dried; (c) the flasks were submerged in potassium dichromate cleaning solution for 24 hr, rinsed In the same manner as the pipettes, and dried in an inverted position.Each flask received 10 ml of substrate solution or suspension delivered with a volumetric pipette. Next, 10 ml of blended sludge were added to each flask. The final concentration of substrate was 500 mg/liter. The final concentration of sludge solids was 2500 mg/liter. The control for endogenous respiration contained 10 ml of distilled water and 10 ml of adjusted sludge. Endogenous respiration was defined as the amount of accumulative O2uptake observed in the control flask containing sludge and distilled water. After 10-20 min of shaking for temperature equilibration the flasks were closed off to the atmosphere and shaken for 24 hr at 78 oscillations per min. From 9 to 16 readings were made during each experiment.The terms "percentage oxidized," or "percentage of oxidation," or "X per cent oxidized" mean the ratio of the amount of oxygen taken up by the sludge in the presence of that concentration of the substrate to the amount of oxygen required for complete oxidation of that concentration of substrate, i.e., oxidation to carbon dioxide, water, nitrate, and sulfate. This ratio is also referred to as the "percentage of total theoretical oxygen demand (ThOD)."Theoretical O2 uptake of the test chemical by activated sludge was determined to be1462 mg/l. No sufficient degradation of the test chemical was observed in 24 hr period. Thus, the chemical 2 -Nonanone was considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemical2-Nonanone(Study 1 and 2 from peer reviewed journal and study 3 from secondary source), it can be concluded that the test substance2-Nonanonecan be expected to be not readily biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 2 -Nonanone (CAS No. 821 -55 -6). If released in to the environment, 27.5% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2-Nonanone in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 2-Nonanone in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.151%), indicates that 2-Nonanone is not persistent in sediment.

Biodegradation in soil

The half-life period of 2-Nonanone (CAS No. 821 -55 -6) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 67.7 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 2-Nonanone in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 2-Nonanone, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

On the basis of available information, the test substance 2 -Nonanone can be considered to be not readily biodegradable in nature.

Bioaccumulation: aquatic / sediment:

Four different studies from validated predicted databases for bioaccumulation endpoint of target chemical 2-Nonanone (Cas no. 821-55-6) are summarized as followed:

 

First study from prediction report by BCFBAF Program (v3.00) model which indicate the estimated bio concentration factor (BCF) for 2-Nonanone is 54.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-Nonanone is not expected to bio accumulate in the food chain.

Another predicted database PBT profiler propose the Bioaccumulation factor (BCF) was predicted to be 55 L/kg wet-wt at 25 deg.C for test chemical 2-Nonanone.

And Scifinder database indicate the Bioconcentration factor (BCF) for target chemical 2-Nonanone was predicted to be 115 at pH 1-10 and temperature 25 deg.C. Based on the BCF concentration at all pH range i.e 1 -10 it is concluded that the test chemical 2-Nonanone is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

Whereas Chemspider - ACD/PhysChem Suite prediction model indicate the Bioconcentration factor (BCF) for target chemical 2-Nonanone was estimated to be 185.37 at pH 5.5 and 7.4 at temperature 25 deg.C.

Adsorption / desorption:

Three different studies from validated predicted databases for adsorption endpoint of target chemical 2-Nonanone (Cas no. 821-55-6) are summarized as followed:

 

First study from prediction report using EPI suite KOCWIN Program (v2.00) indicate The Soil Adsorption Coefficient i.e Koc value of 2-Nonanone was estimated as Koc 90.66 L/kg (log Koc = 1.957) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2-Nonanone has a Low sorption to soil and sediment and therefore has moderate migration potential to groundwater.

And Chemspider - ACD/PhysChem Suite prediction model indicate the the soil adsorption coefficient i.e Koc value of test substance 2-Nonanone was estimated to be 1462.41(log koc-3.16) at pH 5.5 and pH 7.4 and temp.25 deg.C Koc values at different pH indicates that the substance 2-Nonanone has moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.

Whereas Scifinder database indicate the soil adsorption coefficient i.e Koc value of test substance 2-Nonanone was estimated to be 1040 (Log koc-3.01) at pH 1-10 and temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance 2-Nonanone has moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.

All predicted values for adsorption is in the range of log Koc 1.957-3.16 (L/kg or dimensionless) conclude the target chemical 2-Nonanone (Cas no. 821-55-6) has moderate mobility in soil/sediment.

All predicted values for bioaccumulation is in the range of 54.8 -185.37 (L/kg or dimensionless) conclude the target chemical 2-Nonanone (Cas no. 821-55-6) is non bioaccumulative in aquatic environment as it does not exceed the BCF criteria of 2000 as per the CLP regulation.