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EC number: 205-851-3 | CAS number: 156-38-7
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical p-hydroxyphenylacetic acid (CAS No. 156-38-7) was estimated using EPI suite KOCWIN Program (v2.00) as 37.97 L/kg (log Koc= 1.5795) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical p-hydroxyphenylacetic acid has low sorption to soil and therefore test chemical has moderate migration potential to ground water.
Additional information
Adsorption/desorption:
Various predicted data studies for target chemical p-hydroxyphenylacetic acid (CAS No. 156-38-7) and experimental study for its structurally and functionally similar read across chemicals have been conducted and their results are summarized below for adsorption endpoint.
In first predicted data study the Soil Adsorption Coefficient i.e. Koc value of test chemical p-hydroxyphenylacetic acid (CAS No. 156-38-7) was estimated using Estimation Program Interface (EPI suite, 2018) KOCWIN Program (v2.00) as 37.97 L/kg (log Koc= 1.5795) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical p-hydroxyphenylacetic acid has low sorption to soil and therefore test chemical has moderate migration potential to ground water.
Another predicted data study was done by using Sci Finder database of Americal chemical Society (ACS, 2017) the soil adsorption co-efficient i.e., Koc value of test chemical p-hydroxyphenylacetic acid was estimated to be 1.0 dimensionless (log Koc = 0) at pH range 7-10 at temperature 25 deg.c. this value suggests that this test chemical has negligible sorption to soil and sediments ane therefore has rapid migration potential to ground water.
Next study was done by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry (RCS, 2017) in this study the soil adsorption co-efficient i.e., Koc value of test substance p-hydroxyphenylacetic acid was estimated to be 6.40 dimensionless (log Koc= 0.8061) at pH 5.5 and 1.0 dimensionless (Log Koc= 0.0) at pH 7.4 and temperature 25 deg.C These Koc values at different pH indicates that the chemical p-hydroxyphenylacetic acid has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.
Last predicted data study was done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption coefficient i.e KOC for test substance p-hydroxyphenylacetic acid (CAS no. 156 -38 -7) was estimated to be 63.8 L/kg (log Koc = 1.8048) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance p-hydroxyphenylacetic acid has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.
Next study was experimental study done by SSS (2017) in this study the adsorption coefficient Koc in soil and in sewage sludge of read across chemical 4-methoxyphenylacetic acid (CAS No.104-01-8) 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 structural similarity with the read across substance and calibration graph prepared. The reference substances were xylene, ethylbenzene and toluene having Koc value ranging from 2.369 to 2.649. The Log Koc value was determined to be 1.15385 ± 0.0029 at 25°C. The results indicate that the read across chemical 4-methoxyphenylacetic acid (CAS No. 104-01-8) is likely to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
In another experimental study Koc value was determined by using a structure estimation method based on molecular connectivity indices, the Koc for read across chemical 4-chlorophenoxy acetic acid was estimated to be 18 dimensionless this estimated Koc value suggests that 4-chlorophenoxy acetic acid is expected to have very high mobility in soil and negligible sorption to soil and sediments.
On the basis of above results for target chemical p-hydroxyphenylacetic acid (CAS No. 156-38-7)(from EPI suite, Sci Finder database, Comptox chemistry dashboard and Chemspider 2017) and for its read across chemicals (From authoritative database HSDB) it can be concluded that the log Koc value ofp-hydroxyphenylacetic acidranges from 0.0 to 1.8048 indicating that the chemicalp-hydroxyphenylacetic acid has negligible to low sorption to soil and sediment and therefore it has rapid to moderate migration potential to ground water.
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