Registration Dossier
Registration Dossier
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EC number: 204-569-8 | CAS number: 122-72-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The Soil Adsorption Coefficient i.e Koc value of 3-phenylpropyl acetate was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 380.7 L/kg(log Koc=2.5805) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 3-phenylpropyl acetate has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 380.7
Additional information
Predicted and experimental data of adsorption endpoint for the target chemical 3-phenylpropyl acetate (Cas no. 122-72-5) and its read across chemical were reviewed to summarize as follows:
From predicted model EPI suite 2016 indicate that the soil adsorption coefficient (Koc) value of chemical 3-phenylpropyl acetate is estimated to be 380.7 L/kg (log KOC = 2.5805) by means of MCI method at 25 deg.C, This Koc value indicates that the substance 3-phenylpropyl acetate has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Whereas from chemspider predicted database the soil adsorption coefficient i.e Koc value of test substance 3-phenylpropyl acetate was estimated to be 768.68 L/Kg i.e Log Koc= 2.88574 at pH 5.5 and 7.4. This Koc value indicates that the substance 3-phenylpropyl acetate has a Moderate sorption to soil and sediment and therefore has slow migration potential to groundwater.
Experimental study for read across substance Benzyl butyrate(CAS No. 103-37-7) indicate the adsorption coefficient Koc in soil and in sewage sludge 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 were4-chloroaniline, 4-methylaniline, N methylaniline, 2-Nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide, Benzamide, phenanthrene having Koc value ranging from 1.239 to 4.09.The Log Koc value was found tobe3.323± 0.0005at 25°C.( UNIQUE ECOTOX RESEARCH LABORATORY; 2015)
From HSDB database; 2016 the read across chemical benzyl acetate (Cas no. 140-11-4) indicate the adsorption coefficient (Koc) of substance benzyl acetate was found to be 180 using a log Kow of 1.96 and a regression-derived equation. This Koc value suggests that benzyl acetate is expected to have moderate mobility in soil.
Thus based on the above all studies it is concluded that the test substance 3-phenylpropyl acetate (Cas no. 122-72-5) is expected to have slow to moderate mobility in soil/sediment.
[LogKoc: 2.5805]
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