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EC number: 203-381-3 | CAS number: 106-29-6
Endpoint summary
Administrative data
Description of key information
Additional information
Hydrolysis
Predicted data for the test compound Geranyl butyrate (CAS No. 106 -29-6) and the study for its read across substance were reviewed for the hydrolysis end point which are summarized as below:
HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2016) prediction model was used to predict the hydrolysis half-life of test compound Geranyl butyrate (CAS No. 106 -29 -6). The estimated half-life of Geranyl butyrate was evaluated to be 1.222 years and 44.625 days at pH 7.0 and 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.
The base catalyzed second order hydrolysis rate constant of read across substance Geranyl acetate (CAS no. 105-87-3) was determined using a structure estimation method (HSDB, 2016). The second order hydrolysis rate constant was determined to be 3.5 × 10-1L/mol-sec with a corresponding half-lives of 231 and 23 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the chemical Geranyl acetate is not hydrolysable.
On the basis of above results for target and read across substance, it can be concluded that the test substance Geranyl butyrate can be considered to be not hydrolysable.
Biodegradation in water
Various predicted data for the test compoundGeranyl butyrate(CAS No. 106-29-6) and for its read across substance were reviewed for the biodegradation end point which are summarized as below:
Biodegradability of Geranyl butyrate is predicted using QSAR toolbox version 3.4 (SSS QSAR Prediction Model, 2016) .Test substance undergoe 73.8% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Geranyl butyrate was estimated to be readily biodegradable in water.
Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound Geranyl butyrate (CAS no. 106 -29 -6) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that Geranyl butyrate is expected to be readily biodegradable.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Isobutyraldehyde trimer (CAS no. 77-68-9) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 96% by BOD, 94% by TOC removal and 100% by GC in 28 days. Thus, based on percentage degradation, Isobutyraldehyde trimer was considered to be readily biodegradable in nature.
Biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance Dibutyl adipate (CAS no. 105-99-7) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 90% by BOD and 100% by GC in 14 days. Thus, based on percentage degradation, Dibutyl adipate was considered to be readily biodegradable in nature.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Methyl dodecanoate (CAS no. 111-82-0) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 78% by BOD and 100% by GC in 28 days. The read across substance was partially hydrolyzed in water to form Dodecanoic acid and Methanol. Thus, based on percentage degradation, Methyl dodecanoate was considered to be readily biodegradable in water.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance 2-Ethylhexyl butyrate (CAS no. 25415-84-3) (J-CHECK, 2016). Concentration of inoculum i.e, sludge used was 30 mg/l and initial substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance was determined to be 100% by both BOD and GC parameter in 28 days. The read across substance was hydrolyzed to form 2-Ethyl-1-hexanol and Butanoic acid in the test solution, and they were degraded. Part of Butanoic acid remained in the aqueous solution of Sodium hydroxide used as the CO2 absorbent. Thus, based percentage degradation, 2 -Ethylhexyl butyrate was considered to be readily biodegradable in water.
On the basis of above results for target and read across substance, it can be concluded that the test substanceGeranyl butyratecan be expected to be readily biodegradable in nature.
Biodegradation in water and sediment
Estimation Programs Interface (EPI) Suite (2016) prediction model was run to predict the half-life in water and sediment for the test compound Geranyl butyrate (CAS No. 106 -29 -6). If released in to the environment, 17.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Geranyl butyrate 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 Geranyl butyrate in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 2% (i.e, reported as 1.02%), indicates that Geranyl butyrate is not persistent in nature.
Biodegradation in soil
The half-life period of Geranyl butyrate (CAS No. 106 -29 -6) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2016). If released into the environment, 81.2% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Geranyl butyrate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of Geranyl butyrate, 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 substanceGeranyl butyratecan be considered to be readilybiodegradable in nature.
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