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EC number: 823-920-1 | CAS number: 5341-95-7
Data waiving; estimated Koc: 1 L/kg // log Koc: -0.6584 (EPISuite KOCWIN v2.01, Koc estimated from MCI method)
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.
KOCWIN Program (v2.00) Results:
SMILES : CC(O)C(C)O
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
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
2 Aliphatic Alcohol (-C-OH) ........... : -0.8229
Corrected Log Koc .................................. : -0.3458
Estimated Koc: 0.451 L/kg <===========
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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