Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 207-924-5 | CAS number: 501-52-0
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
The Soil Adsorption Coefficient i.e Koc value of 3-phenylpropanoic acid was estimated using EPI suite KOCWIN model (v2.00) as Koc 53.88 L/kg (log Koc=1.73) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 3-phenylpropanoic acid has a Low sorption to soil and sediment and therefore have rapid to moderate migration potential to groundwater.
Additional information
Adsorption / desorption
Four studies including predicted data and experimental studies for adsorption (KOC) endpoint of target chemical 3-phenylpropanoic acid (Cas no. 501-52-0) with relevant read across which is structurally similar to target were summarized as follows:
First study from prediction done using KOCWIN model (v2.00) of EPI suite indicate the Soil Adsorption Coefficient i.e Koc value of 3-phenylpropanoic acid was estimated as Koc 53.88 L/kg(log Koc=1.73) by means of MCI method at 25 deg.C. This Koc value indicates that the substance 3-phenylpropanoic acid has a Low sorption to soil and sediment and therefore have rapid to moderate migration potential to groundwater.
And study from Scifinder database suggest the soil adsorption coefficient i.e Koc value of test substance 3-phenylpropanoic acid was estimated to be 94.7 (Log koc-1.976) at pH 1, 94.5 (Log koc-1.97) at pH 2, 92.7 (Log koc-1.96 at pH 3, 77.5 (Log koc-1.88) at pH 4, 29.4 (Log koc-1.468) at pH 5, 4.09 (Log koc-0.611) at pH 6 and 1 (Log koc-0) at pH 7 -10 and temperature 25 deg.C.This Koc value at all range of pH condition indicates that the substance 3-phenylpropanoic acid has negligible to low sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Whereas result from Chemspider - ACD/PhysChem Suite indicate the soil adsorption coefficient i.e Koc value of test substance 3-phenylpropanoic acid was estimated to be 35.85 (log koc: 1.55) at pH 5.5 and temp.25 deg.C this Koc value indicates that the substance 3-phenylpropanoic acid has negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Above all prediction results for target chemical supported by experimental data of read across Benzyl butyrate(CAS No.103-37-7) which suggest The adsorption coefficient Koc in soil and in sewage sludge Benzyl butyrate(CAS No. 103-37-7)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 Kocrange 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 Kocvalue was found tobe3.323± 0.0005at 25°C.(UERL laboratory;2017)
Thus all available studies for adsorption endpoint concluded that the test substance 3-phenylpropanoic acid (Cas no. 501-52-0) is expected to have high mobility in soil and sediment compartment.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
