Sorbitan monostearate, ethoxylated

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption

Remarks:

adsorption

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Estimated data generated using the EPI Suite model developed by the USEPA.

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

Prediction done using KOCWIN Program (v2.00)

GLP compliance:

not specified

Type of method:

other: MCI Method

Media:

soil

Radiolabelling:

not specified

Test temperature:

25 deg.C

Analytical monitoring:

not specified

Type:

Koc

Value:

1 217 L/kg

Temp.:

25 °C

Remarks on result:

other: Log Koc= 3.0852 (estimated by MCI method)

KOCWIN Program (v2.00) Results:

==============================

SMILES : CCCCCCCCCCCCCCCCCC(=O)OCCOCC(C1C(OCCO)C(OCCO)CO1)OCCO

CHEM :

MOL FOR: C32 H62 O10

MOL WT : 606.85

8

--------------------------- KOCWIN v2.00 Results ---------------------------

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 20.672

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 11.3760

Fragment Correction(s):

2 Aliphatic Alcohol (-C-OH) ........... : -2.6358

5 Ether, aliphatic (-C-O-C-) .......... : -4.3580

1 Ester (-C-CO-O-C-) or (HCO-O-C) ...... : -1.2970

Corrected Log Koc .................................. : 3.0852

Estimated Koc: 1217 L/kg <===========

Validity criteria fulfilled:

not specified

Conclusions:

The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1217 L/kg (log Koc= 3.0852) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

Executive summary:

The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1217 L/kg (log Koc= 3.0852) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical  has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

Description of key information

The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1217 L/kg (log Koc= 3.0852) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical  has moderate sorption to soil and therefore test chemical has slow migration potential to ground water

Key value for chemical safety assessment

Koc at 20 °C:

1 217

Additional information

Predictions and experimental studies have been reviewed from different sources of test chemical and its structurally similar read across chemical for adsorption coefficient endpoint.

 

In first study the Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1217 L/kg (log Koc= 3.0852) by means of MCI method at 25 deg. C.  

 

In next study the koc value of test chemical was determined to be 1100 dimensionless (log Koc= 3.041) by using a structure estimation method based on molecular connectivity indices.

 

Last study was also experimental study reviewed from authoritative database (HSDB) the koc value of test chemical was determined to be 470 dimensionless (log Koc= 2.672) by using a structure estimation method based on molecular connectivity indices

 

By considering the Log Koc value all the studies mentioned above it is concluded that Log Koc value of test chemical is in range of 2.672 – 3.0852 this range log Koc value indicates that the test substance has a strong sorption to soil and therefore has negligible to slow migration potential to groundwater.