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Environmental fate & pathways

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Description of key information

Bioaccumulation: aquatic/sediments:

The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no. 89-80-5). The bioaccumulation factor (BCF) value was calculated using a water solubility and a regression derived equation. The BCF (bioaccumulation factor) value of (2R,5S)-5 -methyl-2 -(propan-2 -yl)cyclohexan-1 -one was estimated to be 15 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (2R,5S)-5 -methyl-2 -(propan-2 -yl)cyclohexan-1 -one is considered to be non-accumulative in aquatic organisms.

Additional information

Bioaccumulation: aquatic/sediments:

Experimental study and predicted data for the target compound (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS No. 89-80-5) and varioussupporting studiesfor its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In an experimental key study from authoritative database (HSDB and Pubchem, 2017), bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no. 89-80-5). The bioaccumulation factor (BCF) value was calculated using a water solubility and a regression derived equation. The BCF (bioaccumulation factor) value of (2R,5S)-5 -methyl-2 -(propan-2 -yl)cyclohexan-1 -one was estimated to be 15 dimensionless.

 

In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical (2R,5S)-5 -methyl-2 -(propan-2 -yl)cyclo hexan-1 -one (CAS No. 89-80-5). The bioconcentration factor (BCF) of (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one was estimated to be 47.8 L/kg whole body w.w (at 25 deg C).

 

Another predicted data was estimated by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). TheBCF over the entire pH scale (pH 1 -14) of the test substance (2R,5S)-5 -methyl-2 -(propan-2 -yl)cyclohexan-1 -one (CAS no. 89 -80 -5) was estimated to be 58.2.

 

In a supporting study from authoritative database (HSDB, 2017) for the test chemical , bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance under static conditions. Cyprinus carpio was used as a test organism for the study. Test chemical conc. ranges from 0.02 – 0.2 mg/l (nominal concentrations), respectively. The bioconcentration factor (BCF value) of substance (-)-Menthol on Cyprinus carpio was determined to be in the range of 1-15 at a conc. of 0.02-0.2 mg/l, respectively.

 

In next experimental study the bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of test chemical (from authoritative database J-CHECK and HSDB, 2017).The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 0.2 mg/land 0.02 mg/l, respectively. Test chemical solution was prepared in HCO-40. Analytical method involve the recovery ratio: Test water : 1st concentration area : 89.4 %, 2nd concentration area : 90.0 %, Fish : 74.6 %, - Limit of detection : Test water : 1st concentration area : 7.8 ng/mL, 2nd concentration area : 0.78 ng/mL, Fish : 63 ng/g. Range finding study involve theLC50(48h) 26 mg/L on Rice fish (Oryzias latipes). Lipid content of the test organism Cyprinus carpio was determined to be 4.7%. The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be 0.5-15 L/Kg at a conc. of 0.2 mg/l and 4.6-11 L/Kg at a conc. of 0.02 mg/l, respectively.

 

On the basis of above results for target chemical (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (from authoritative database HSDB, PubChem, EPI suite and ACD labs,2017) , it can be concluded that the BCF value of test substance (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one ranges from 15 –58.2 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one is not expected to bioaccumulate in the food chain