Registration Dossier
Registration Dossier
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EC number: 203-604-4 | CAS number: 108-67-8
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- other: Calculated
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: TGD guideline QSAR calculations, acceptable with restrictions
- Principles of method if other than guideline:
- According to Sabljic and Gusten (1995) as recommended in Part 2 Section 2.3 of the TGD (2003) for hydrophobic compounds. Koc is calculated as log Koc = 0.81log Kow + 0.1. Based on a measured log Kow of 3.42 for 1,3,5-trimethylbenzene.
- GLP compliance:
- not specified
- Remarks:
- calcualted data
- Type of method:
- other: calculated
- Media:
- soil
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable - Test temperature:
- Not applicable
- Details on sampling:
- Not applicable
- Details on matrix:
- Not applicable
- Details on test conditions:
- Not applicable
- Computational methods:
- Not applicable
- Type:
- Koc
- Value:
- 741.65
- Key result
- Type:
- log Koc
- Value:
- 2.87
- Details on results (HPLC method):
- Not applicable
- Adsorption and desorption constants:
- Not applicable
- Recovery of test material:
- Not applicable
- Concentration of test substance at end of adsorption equilibration period:
- Not applicable
- Concentration of test substance at end of desorption equilibration period:
- Not applicable
- Details on results (Batch equilibrium method):
- Not applicable
- Statistics:
- Not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- QSAR
- Conclusions:
- The adsorption coefficient Koc of 1,3,5-trimethylbenzene was calculated as 741.65 and the Log Koc as 2.87.
- Executive summary:
Koc and Log Kow were calculated using the Log Kow of 3.42 in accordance with the method defined in the TGD. This method is deemed reliable and acceptable for assessment for this endpoint. The Koc and log Koc of 1,3,5 -trimethylbenzene are therefore 741.65 and 2.87 respectively.
Reference
Description of key information
The Koc and log Koc of 1, 3, 5-trimethylbenzene were calculated to be 741.65 and 2.87 respectively.
Key value for chemical safety assessment
- Koc at 20 °C:
- 741.65
Additional information
No reliable experimental study was identified, therefore Koc and Log Koc were calculated using the Log Kow of 3.42 in accordance with the method defined in the TGD (2003). Values reported in USEPA report (1994), have an unknown reliability, but are considered suitable as a supporting study.
[LogKoc: 2.87]
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