Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
8 January 2020
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:
As the test item (an insoluble UVCB) is not appropriate for testing as such a QSAR has been conducted in order to assess this particular endpoint. The identified and most abundent constituents of the substance subject to registration have been utilised to provide a range.
1. SOFTWARE: US EPA On-Line EPI Suite™ model KOCWIN Program (v2.00)
2. MODEL (incl. version number): KOCWIN Program (v2.00)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL:
CAS: 29190-28-1 Cc1cccc(N=Nc2ccc(O)c(N=Nc3cccc(C)c3C)c2O)c1C
CAS: 68310-04-3 CCCCCCCCCCCCc1ccc(N=Nc2c(O)ccc(N=Nc3ccc(C)cc3C)c2O)cc1
CAS: 65087-00-5 CCCCCCCCCCCCc1ccc(N=Nc2ccc(O)c(N=Nc3ccc(CCCCCCCCCCCC)cc3)c2O)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: See attached QPRF
5. APPLICABILITY DOMAIN: See attached QPRF
6. ADEQUACY OF THE RESULT: See attached QPRF
Qualifier:
according to guideline
Guideline:
other: QSAR
Deviations:
not applicable
Principles of method if other than guideline:
Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code
GLP compliance:
no
Type of method:
other: QSAR
Media:
soil
Key result
Type:
Koc
Value:
>= 1 172 000 - <= 10 000 000 000 L/kg
Remarks on result:
other: Range provided based on the two identified consitituents of the substance.
Key result
Type:
log Koc
Value:
>= 6.069 - <= 11.154 L/kg
Remarks on result:
other: Range provided based on the two identified consitituents of the substance.
Validity criteria fulfilled:
not applicable
Remarks:
QSAR
Conclusions:
Based on the calculations by the US EPA On-Line EPI Suite™ model KOCWIN Program (v2.00) on the consistients of Reaction mass of 2,4-bis(xylylazo)resorcinol and 2,4-bis[(4-dodecylphenyl)azo]resorcinol and 2-[(4-dodecylphenyl)azo]-4-(2,4-xylylazo)resorcinol the absorption coefficient is considered to be between:
Koc range: 1.172e+006 - 1e+010 L/kg
log Koc range: 6.0689 - 11.154

Description of key information

Based on the calculations by the US EPA On-Line EPI Suite™ model KOCWIN Program (v2.00) on the consistients of Reaction mass of 2,4-bis(xylylazo)resorcinol and 2,4-bis[(4-dodecylphenyl)azo]resorcinol and 2-[(4-dodecylphenyl)azo]-4-(2,4-xylylazo)resorcinol the absorption coefficient is considered to be between:

Koc range: 1.172e+006 - 1e+010  L/kg

log Koc range: 6.0689 - 11.154

Key value for chemical safety assessment

Koc at 20 °C:
10 000 000 000

Additional information