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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2001
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Expert statement with an accepted estimation method
Qualifier:
according to guideline
Guideline:
other: Lyman, Reehl, Rosenblatt: Handbook of chemical property estimation methods, 1990
Principles of method if other than guideline:
The estimation was performed based on the octanol/water partition coefficient of log Kow > 4.2 using a regression equation and relating the Koc with Kow.
GLP compliance:
no
Remarks:
calculation
Type of method:
other: calculation
Media:
soil
Radiolabelling:
no
Type:
Koc
Value:
>= 4 590
Type:
log Koc
Value:
>= 3.66

The adsorption coefficient (Koc) of Y-15099 was estimated to be 4590 or higher and would be classified as immobile in soils.

The mobility classification was obtained by comparing the calculated Koc value to the mobility classes according to Guth (International Symposium, Canterbury, 1 -3 July 1985, Adsorption/Desorption).

Range of Koc

Mobility Class

> 1725

I     Immobile

< 1725 to > 172

II    Little mobile

< 172 to > 86

III   Moderately mobile

<86 to > 34

IV   Slightly mobile

< 34 to > 17

V    Mobile

< 17

VI   Very mobile

Conclusions:
Y-15099 has a high potential to adsorb to soil particles indicated by a Koc of = 4590.
Executive summary:

An estimation of the absorption coefficient is available for this test substance based on the calculated log Kow and using a regression analysis equation (Lyman, Reehl, Rosenblatt: Handbook of chemical property estimation methods, 1990). The result (Koc: 4590 or higher) indicates that binding to soil is an important sorption method. Y-15099 is well absorbed to soil and is therefore considered to be immobile. This means there is little risk of it leaching into deeper soils.

Description of key information

log Koc: = 3.6 for Y-15099 and 0.02 - 2.46 (MCI method) for the hydrolysis products

Key value for chemical safety assessment

Koc at 20 °C:
4 590

Additional information

An estimation of the adsorption coefficient is available for Y-15099 (CAS 220727-26-4). The estimation is based on the calculated log Kow (> 4.2) and using a regression analysis equation relating the Koc with the Kow, according to Lyman, Reehl and Rosenblatt (Handbook of chemical property estimation methods, 1990). The estimated Koc = 4590 (log Koc of = 3.6) indicates that binding to soil and sediment particles is an important sorption method, with Y-15099 being well absorbed to soil and sediment and is thus immobile (Völkel, 2001).

But since the substance is hydrolytically unstable the expected hydrolysis products should be considered when evaluating the adsorption potential. Since no data are available for the hydrolysis products, the log Koc was calculated by KOCWIN v3.20 (Müller, 2012). The results indicate a low potential for adsorption to soil and sediment particles based on calculated log Koc values of 0.02 - 2.46. For the ethanol hydrolysis product an experimental log Koc value of 0.2 can also be found in the EPISuite database which is in line with the calculated value of 0.02 indicating a low potential for adsorption.

[LogKoc: 3.6]