Registration Dossier
Registration Dossier
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EC number: 268-369-2 | CAS number: 68082-25-7 This substance is identified by SDA Substance Name: C14-C18 and C16-C18 unsaturated alkyl carboxylic acid triethanol amine salt and SDA Reporting Number: 04-006-14.
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- see the attached file "Justification QSAR_Trioleato di TEA_Koc"
- Guideline:
- other: KOCWIN
- Version / remarks:
- version 2.00
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI SUITE v.4.11
- Model(s) used: KOCWIN v.2.00 (September 2010)
- Model description: see field 'Justification for type of information'. - Specific details on test material used for the study:
- Octadecanoic acid triester SMILES : O=C(OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CC
OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Tetradecanoic acid monoester SMILES: O=C(CCCCCCCCCCCCC)OCCN(CCO)CCO
Tetradecanoic acid SMILES: OC(=O)CCCCCCCCCCCCC - Key result
- Type:
- log Koc
- Value:
- > 2.4 - < 14
- Remarks on result:
- other: (Q)SAR predicted value
- Conclusions:
- The LogKoc of the test item was estimated to be high (estimated values for the main components > > 4).
- Endpoint:
- adsorption / desorption: screening
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
Referenceopen allclose all
Fatty acids, C14-18 and C16-18 unsatd., compds. with triethanolamine is a complex mixture (UVCB substance). In order to estimate the organic carbon normalized adsorption coefficient (Koc) of the substance, Koc values were estimated for its following components:
1) Octadecanoic acid triester (the biggest component): LogKoc = 13.84
2) Tetradecanoic acid monoester (the smallest monoester arising from the reaction): LogKoc = 2.41
3) Tetradecanoic acid (the smallest component): LogKoc = 3.5 (neutral form)
Based on the above predictions and the composition (consisting mainly of fatty acids triesters) the adsorption coefficient of the test item was estimated to be high.
Description of key information
The LogKoc of the test item was estimated to be high (estimated values for the main components > > 4).
Key value for chemical safety assessment
- Koc at 20 °C:
- 4.5
Additional information
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