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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Data waiving:
other justification
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
the study does not need to be conducted because the substance and its relevant degradation products decompose rapidly

Description of key information

Data waiving; estimated Koc: 1 L/kg // log Koc: -0.6584 (EPISuite KOCWIN v2.01, Koc estimated from MCI method)

Key value for chemical safety assessment

Koc at 20 °C:
1

Additional information

Adsorption / desorption

In accordance with column 2 of REACH Annexes VIII and IX, the study does not need to 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 relevant degradation products decompose rapidly. This is the case for the submission substance.

The estimated Koc is calculated at 1 L/kg or 0.451 L/kg by the MCI or Kow method, respectively (EPISuite KOCWIN v2.01, exp. log Kow: -0.81). The Koc of 1 L/kg calculated from MCI method was used the derivation of PNECs soil and sediment. Based on the low log Kow and estimated Koc value, the submission substance is not expected to adsorb to soil and sediment.

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KOCWIN Program (v2.00) Results:

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SMILES : CC(O)C(C)O

CHEM   :

MOL FOR: C4 H10 O2

MOL WT : 90.12

---------------------------  KOCWIN v2.01 Results  ---------------------------

 Koc Estimate from MCI:

 ---------------------

        First Order Molecular Connectivity Index  ........... :  2.643

        Non-Corrected Log Koc (0.5213 MCI + 0.60)  .......... :  1.9775

        Fragment Correction(s):

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

        Corrected Log Koc  .................................. : -0.6584

        Over Correction Adjustment to Lower Limit Log Koc ... :  0.0000

                        Estimated Koc:  1  L/kg   <===========

 Koc Estimate from Log Kow:

 -------------------------

        Log Kow  (User entered   )  ......................... : -0.81

        Non-Corrected Log Koc (0.55313 logKow + 0.9251)  .... :  0.4771

        Fragment Correction(s):

                 2   Aliphatic Alcohol  (-C-OH)  ...........  : -0.8229

        Corrected Log Koc  .................................. : -0.3458

                        Estimated Koc:  0.451  L/kg   <===========