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Environmental fate & pathways

Adsorption / desorption

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Endpoint:
adsorption / desorption, other
Remarks:
(Q)SAR calculated endpoint
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction: (Q)SAR method with established scientific validity
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR model
GLP compliance:
no
Remarks:
not relevant
Type of method:
other: QSAR model
Media:
other: QSAR model
Radiolabelling:
no
Test temperature:
QSAR model
Analytical monitoring:
no
Type:
Koc
Value:
31.82
Remarks on result:
other: Estimate from MCI:

The log of the adsorption coefficient (KOC) of Talc (Mg3H2(SiO3)4) was estimated to be log KOC = 1.5027 which is equal to a KOC value of 31.82 using the KOCWIN v2.00 QSAR method.

CAS Number: 14807-96-6

SMILES : O=[Si](O)O[Mg]O[Si](=O)O[Mg]O[Si](=O)O[Mg]O[Si](=O)O

CHEM  : Talc (Mg3H2(SiO3)4)

MOL FOR: H2 O12 Si4 Mg3

MOL WT : 379.27

 

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

Koc Estimate from MCI:

 ---------------------

        First Order Molecular Connectivity Index ........... : 1.732

        Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 1.5027

        Fragment Correction(s) --> NONE                     :  ---

        Corrected Log Koc .................................. : 1.5027

 

                        Estimated Koc: 31.82 L/kg  <===========

 

 

 

Validity criteria fulfilled:
yes
Conclusions:
KOCWIN predicts a Koc value of 31.82 L/kg (log Koc 1.5027)
The adsorption coefficient (Koc) was estimated using the KOCWIN v2.00 QSAR model available from the US EPA. The estimated adsorption coefficient was 31.82 L/kg (log Koc 1.5027)
Executive summary:

The log of the adsorption coefficient (KOC) of Talc (Mg3H2(SiO3)4) was estimated to be log KOC = 1.5027 which is equal to a KOC value of 31.82 using the KOCWIN v2.00 QSAR method.

Endpoint:
adsorption / desorption: screening
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of this substance is related to this parameter
other:

Description of key information

The log of the adsorption coefficient (KOC) of Talc (Mg3H2(SiO3)4) was estimated to be log KOC = 1.5027 which is equal to a KOC value of 31.82 using the KOCWIN v2.00 QSAR method.

According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE , an adsorption study need not be conducted if: — based on the physicochemical properties the substance can be expected to have a low potential for adsorption (e.g. the substance has a low octanol water partition coefficient), or — the substance and its degradation products decompose rapidly. Octanol/Water Partition Coefficient of Talc (Mg3H2(SiO3)4) is low (log Kow = -9.40)

 

Key value for chemical safety assessment

Koc at 20 °C:
31.82

Additional information

[LogKoc: 1.5027]