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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)

Reference
Endpoint:
adsorption / desorption: screening
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
Principles of method if other than guideline:
QSAR
GLP compliance:
no
Key result
Sample No.:
#1
Type:
Koc
Value:
ca. 34.34 L/kg
Temp.:
20 °C
Remarks on result:
other: logKoc = 1.53
Remarks:
logKoc = 1.53
Validity criteria fulfilled:
not specified
Conclusions:
LogKoc equal to 1.53 (corresponding to a Koc equal to 34.34 L/kg).
The LogKowc prediction is based on the weighted mean among the LogKow-based model
prediction (LogKoc equal to 1.40) and MCI-based model prediction (LogKoc equal to 1.56).
The weighed mean was calculated using 20% weighting factor for the LogKow-based
prediction and 80% for the MCI-based prediction. The low weight of the LogKow-based
prediction was due to the lower confidence in the prediction (as discussed in AD and
Reliability sections).
KOCWIN estimations for the target 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-
tetraoxide were based on the polar equations (i.e. with correction factors).
Executive summary:

LogKoc equal to 1.53 (corresponding to a Koc equal to 34.34 L/kg).

The LogKowc prediction is based on the weighted mean among the LogKow-based model

prediction (LogKoc equal to 1.40) and MCI-based model prediction (LogKoc equal to 1.56).

The weighed mean was calculated using 20% weighting factor for the LogKow-based

prediction and 80% for the MCI-based prediction. The low weight of the LogKow-based

prediction was due to the lower confidence in the prediction (as discussed in AD and

Reliability sections).

KOCWIN estimations for the target 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-

tetraoxide were based on the polar equations (i.e. with correction factors).

Description of key information

moderate reliable QSAR

Key value for chemical safety assessment

Koc at 20 °C:
1.53

Additional information