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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from HSDB authoritative database
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Adsorption of chemical 4-Nonylphenol, ethoxylated was estimated using structure estimation method.
GLP compliance:
not specified
Type of method:
other: No data available
Media:
soil
Specific details on test material used for the study:
- Name of test material :4-Nonylphenol, ethoxylated
- Molecular formula : C17H28O2
- Molecular weight :264.406 g/mol
- Smiles notation : c1(ccc(OCCO)cc1)CCCCCCCCC
- Substance type: Organic
- Physical state: Liquid
Radiolabelling:
not specified
Analytical monitoring:
not specified
Key result
Type:
Koc
Value:
1 300 dimensionless
Remarks on result:
other: Log Koc : 3.1139
Transformation products:
not specified
Validity criteria fulfilled:
not specified
Conclusions:
The Koc value estimated for chemical 4-Nonylphenol, ethoxylated is 1300 and log Koc is 3.1139. This value indicate that this chemical has moderate sorption to soils and sediments, and slow migration potential to ground water.
Executive summary:

The Koc value estimated by using structure estimation for chemical 4-Nonylphenol, ethoxylated (CAS no. 26027-38-3) method is 1300 and log Koc is 3.1139. This value indicate that this chemical has moderate sorption to soils and sediments, and slow migration potential to ground water.

Description of key information

The Koc value estimated by using structure estimation for chemical 4-Nonylphenol, ethoxylated (CAS no. 26027-38-3) method is 1300 and log Koc is 3.1139 (HSDB, 2017). This value indicate that this chemical has moderate sorption to soils and sediments, and slow migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
1 300

Additional information

Various experimental and predicted data for the target compound 4-Nonylphenol, ethoxylated (CAS No. 26027-38-3) and supporting studies for its read across substance were reviewed for the adsorption end point which are summarized as below:

 

In a key study fromauthoritative database (HSDB, 2017),the Koc value estimated by using structure estimation for test chemical 4-Nonylphenol, ethoxylated (CAS no. 26027-38-3) method is 1300 and log Koc is 3.1139.

 

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 4-Nonylphenol, ethoxylated (CAS No. 26027 -38 -3). The estimated soil adsorption coefficient i.e Koc value of 4-Nonylphenol, ethoxylated was estimated to be 1335 L/kg (log Koc=3.1255) by means of MCI method (at 25 deg C).

 

For the read across chemical sodium 2-[2-(dodecyloxy)ethoxy]ethyl sulfate (CAS no. 3088-31-1), the Koc value estimated (HSDB, 2017) by using structure estimation method based on molecular connectivity indices for the read across substance sodium 2-[2-(dodecyloxy)ethoxy]ethyl sulfate is 1200 and log Koc is 3.0791.

 

On the basis of above results for target chemical4-Nonylphenol, ethoxylated(from authoritative database HSDB and EPI suite, 2017) and for its read across substance from authoritative database HSDB, it can be concluded that the Koc value of test substance4-Nonylphenol, ethoxylated ranges from 1300 – 1335 indicating that the chemical 4-Nonylphenol, ethoxylatedhas amoderate sorption to soils and sediments, and slow migration potential to ground water.

[LogKoc: 3.1139]