Pentyl formate

Endpoint summary

Description of key information

Adsorption/desorption

The Log Koc value of test chemical was determined to be 2.804± 0.000 at dimensionless at 25°C.This log Koc value indicates that the substance has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

Additional information

Adsorption/desorption

Various data for the target compound Pentyl formate(CAS No. 638-49-3) were reviewed for the adsorption end point which are summarized as below:

The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately pipetting 4 microlitre of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 353.6 mg/l. The pH of test substance was 6.6. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances Acetanilide, 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphthylamine, 1-naphthol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, Phenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, N-methylbenzamide, Benzamide, phenanthrene, DDT, were chosen having Koc value range from 1.25 to 4.09.The Log Koc value of test chemical was determined to be 2.804± 0.000 at dimensionless at 25°C.This log Koc value indicates that the substance has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

 

The Soil Adsorption Coefficient i.e Koc value of test substance Pentyl formate (CAS no. 638 -49 -3) was estimated using Adsorption Coefficient module (v12.1.0.50374) program ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) as Koc 255 (log Koc = 2.4 ± 1.0) at pH range 0-14 respectively. This Koc value indicates that the test substance Pentyl formate has a low sorption to soil and therefore have rmoderate migration potential to groundwater.

 

In an another prediction done by usingSciFinder database (American Chemical Society (ACS), 2017), the Soil Adsorption Coefficient i.e Koc value of test substancePentyl formate(CAS No. 638-49-3)was estimated. The soil adsorption coefficient i.e Koc value of Pentyl formate was estimated to be 259 (log Koc = 2.413) (at 25 deg C). This Koc value indicates that the substance Pentyl formate has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

On the basis of above results for target chemical Pentyl formate, it can be concluded that the Koc value of test substancePentyl formateranges from 35.6 – 259 indicating that the chemical Pentyl formatehas a moderate sorption to soil and therefore have a slow migration potential to groundwater.

[LogKoc: 2.8]