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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

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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
the study does not need to be conducted because the substance and its relevant degradation products decompose rapidly
Endpoint:
adsorption / desorption
Remarks:
other: QSAR calculation
Type of information:
(Q)SAR
Adequacy of study:
other information
Study period:
2001
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
PCKowWin Version 1.66 as integrated in EpiWin Version 3.10 (first-order molecular connectivity index (1-MCI) method), Syracuse Research Center / U.S. EPA
Type of method:
other: QSAR calculation
Media:
soil
Radiolabelling:
no
Computational methods:
PCKowWin Version 1.66 as integrated in EpiWin Version 3.10 (first-order molecular connectivity index (1-MCI) method), Syracuse Research Center / U.S. EPA
Type:
Koc
Value:
58.32
Type:
log Koc
Value:
1.766

"very low" potential for geoaccumulation (Blume scale)

Validity criteria fulfilled:
yes
Conclusions:
The soil sorption coefficient of isophorone was QSAR calculated to be Koc = 58.32 (log Koc = 1.766). This corresponds to a "very low" potential for geoaccumulation (Blume scale).
Executive summary:

Using QSAR models of U.S. EPA, the soil sorption coefficient of isophorone was calculated to be Koc = 58.32 (log Koc = 1.766).

Description of key information

Using QSAR models of U.S. EPA, the soil sorption coefficient of isophorone was calculated to be Koc = 58.32 (log Koc = 1.766). Based on its log Kow <3 (chapter 4.7) and this calculation, isophorone has a low potential for adsorption. Therefore, a test is not required according to REACH Annex VIII, 9.3.1, column 2.

Key value for chemical safety assessment

Koc at 20 °C:
58.3

Additional information

[LogKoc: 1.766]