Registration Dossier

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Adsorption / desorption

KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical (2-methoxyphenyl)methanol (CAS No. 612 -16 -8). The soil adsorption coefficient i.e Koc value of (2-methoxyphenyl)methanol was estimated to be 14.03 L/kg (log Koc=1.1470) by means of MCI method (at 25 deg C). This Koc value indicates that the substance (2-methoxyphenyl)methanol has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

Additional information

Adsorption / desorption

Various predicted data for the target compound (2 -methoxyphenyl)methanol (CAS No. 612-16-8) and various supporting weight of evidence study for its read across substance were reviewed for the adsorption end point which are summarized as below:

 

In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical (2-methoxyphenyl)methanol (CAS No. 612 -16 -8). The soil adsorption coefficient i.e Koc value of (2-methoxyphenyl)methanol was estimated to be 14.03 L/kg (log Koc=1.1470) by means of MCI method (at 25 deg C). This Koc value indicates that the substance (2-methoxyphenyl)methanol has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

 

The Soil Adsorption Coefficient i.e Koc value of test substance (2-methoxyphenyl)methanol (CAS no. 612 -16 -8) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 78.3, 78.0, 75.5 and 57.0 at pH range 1-11, 12, 13 and 14 (log Koc value ranges from 1.8 ± 1.0 to 1.9 ± 1.0) respectively(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This Koc value indicates that the test substance (2-methoxyphenyl)methanol has a low sorption to soil and therefore have moderate migration potential to groundwater.

 

In an another prediction done by using ChemSpider Database (2017),the Soil Adsorption Coefficient i.e Koc value of test substance (2-methoxyphenyl)methanol (CAS no. 612 -16 -8) was estimated using ChemSpider Database. The adsorption coefficient (Koc) value of test substance (2-methoxyphenyl)methanol was estimated to be 102.34 (Log Koc = 2.01) at pH 5.5 and 7.4, respectively. This Koc value indicates that the substance (2-methoxyphenyl)methanol has a low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

 

Additional soil adsorption coefficient i.e Koc value of test chemical(2-methoxyphenyl)methanol (CAS No. 612 -16 -8)was estimated using the SciFinder database (American Chemical Society (ACS), 2017). The soil adsorption coefficient i.e Koc value of (2-methoxyphenyl)methanol was estimated to be 99.8 (log Koc = 1.999) (at 25 deg C). This Koc value indicates that the substance (2-methoxyphenyl)methanol has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

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 (2-methoxyphenyl)methanol was estimated to be 46.7 L/kg (log Koc = 1.669).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance (2-methoxyphenyl)methano has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical (2RS)-3-(2-Methoxyphenoxy)propane-1,2-diol (CAS no. 93-14-1),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical (2RS)-3 -(2 -Methoxyphenoxy)propane-1,2 -diol. The adsorption coefficient (Koc) value was calculated using a logKow of 1.39 and a regression derived equation. The adsorption coefficient (Koc) value of test substance (2RS)-3 -(2 -Methoxyphenoxy)propane-1,2 -diol was estimated to be 140 (Log Koc = 2.146). This Koc value indicates that the substance (2RS)-3 -(2 -Methoxyphenoxy)propane-1,2 -diol has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

For the read across chemical 1-hydroxy-2-phenoxyethane (CAS no. 122-99-6),adsorption study was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 1-hydroxy-2-phenoxyethane. The adsorption coefficient (Koc) value was calculated using astructure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance 1-hydroxy-2-phenoxyethane was estimated to be 15 (Log Koc = 1.176). This Koc value indicates that the substance 1-hydroxy-2-phenoxyethane has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

 

On the basis of above overall results for target chemical(2-methoxyphenyl)methanol(from EPI suite, ACD labs,ChemSpider and CompTox Chemistry Dashboard,2017) and for its read across substance from authoritative database (HSDB, 2017), it can be concluded that the Koc value of test substance(2-methoxyphenyl)methanolranges from14.03–102.34,indicating that the test chemical(2-methoxyphenyl)methanolhas a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.