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Environmental fate & pathways

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Description of key information

Adsorption / desorption:

The adsorption coefficient Koc in soil and in sewage sludge (±)-menthone(CAS No.1074-95-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No.121 for testing of Chemicals. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances chosen were 4 -chloroaniline, 4-methylaniline, N-methylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,Ndimethylbenzamide,N-methylbenzamide and Benzamide, having Koc value ranging from 1.239 to 2.47. The Log Koc value was found to be 2.629 ± 0.0005at 25°C.

Additional information

Adsorption / desorption:

Five studies including Experimental result and Predicted model data for Adsorption endpoint of target chemical 2-isopropyl-5-methylcyclohexanone (Cas no. 1074-95-9) and its relevant read across chemical which is 100% structurally similar to target were reviewed to summarize as follows:  

 

First key study from experimental study result performed by UERL lab;2017 which suggest the adsorption coefficient Koc in soil and in sewage sludge (±)-menthone(CAS No.1074-95-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No.121 for testing of Chemicals. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances chosen were 4 -chloroaniline, 4-methylaniline, N-methylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,Ndimethylbenzamide,N-methylbenzamide and Benzamide, having Koc value ranging from 1.239 to 2.47. The Log Koc value was found to be 2.629 ± 0.0005at 25°C.

And Estimation from EPI suite Program using KOCWIN (v2.00) model indicated Soil Adsorption Coefficient i.e Koc value of 2-isopropyl-5-methylcyclohexanone was estimated as Koc 136.2 L/kg (log Koc=2.134)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance 2-isopropyl-5-methylcyclohexanone has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

 

Whereas from chemspider prediction database, the soil adsorption coefficient i.e Koc value of test substance 2-isopropyl-5-methylcyclohexanone was estimated to be 1240.21 i.e Log Koc= 3.093 at pH 5.5 and 7.4 at temp.25 deg.C .This Koc value indicates that the substance 2-isopropyl-5-methylcyclohexanone has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

 

Above both predicted results are supported by experimental data from HSDB database; (2017) for the read across chemical menthone (Cas no. 89-80-5), using a water solubility of 688 mg/l and a regression derived equation, which indicate the Koc of menthone is estimated as approximately 120.This estimated Koc value suggests that menthone is expected to have high mobility in soil.

 

Whereas SciFinder, American Chemical Society (ACS); 2017 predicted database for same read across i.e menthone (Cas no. 89-80-5) indicate the soil adsorption coefficient i.e Koc value was estimated to be 751 i.e Log Koc= 2.875 at pH range 1-10 and temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance Methanone has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

 

Thus based on the above all available studies for target and read across chemical gives the common conclusion that the test substance 2-isopropyl-5-methylcyclohexanone (Cas no. 1074-95-9) has high to moderate mobility in soil/sediment.