Registration Dossier
Registration Dossier
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EC number: 268-083-8 | CAS number: 68002-70-0 This substance is identified by SDA Substance Name: C16-C22 trialkyl glyceride and SDA Reporting Number: 21-001-00.
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Study period:
- Not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimation according to KOCWIN v2.00 of EPIWIN
Data source
Reference
- Reference Type:
- other: software
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Principles of method if other than guideline:
- Using the MCI (Molecular Connectivity Index) approach of KOCWIN v2.00 program of EPIWEB v 4.0, the values of the Koc were calculated for the major components i.e. tribehenic and tristearic of fully hydrogenated rapeseed oil
- Type of method:
- other: Estimated by KOCWIN v2.00 (EPIWEB v 4.0)
- Media:
- other: Not applicable
Test material
- Reference substance name:
- Rape oil, hydrogenated
- EC Number:
- 283-532-8
- EC Name:
- Rape oil, hydrogenated
- IUPAC Name:
- 283-532-8
- Reference substance name:
- 84681-71-0
- Cas Number:
- 84681-71-0
- IUPAC Name:
- 84681-71-0
- Reference substance name:
- ‘Glycerides, C16-22
- IUPAC Name:
- ‘Glycerides, C16-22
- Details on test material:
- - Name of test material: Fully hydrogenated high erucic acid rapeseed oil (CAS N° 84681-71-0, EC N° 283-532-8); under the SDA nomenclature, the name of this substance is ‘Glycerides, C16-22’
- Fatty acid composition:
1. C22:0 45-50%
2. C18:0 35-40%
3. C20:0: 5-10%
4. C16:0 1-5%
5. C18:1 <3%
6. C18:2 <1%
Constituent 1
Constituent 2
Constituent 3
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable
Study design
- Test temperature:
- Not applicable
HPLC method
- Details on study design: HPLC method:
- Not applicable
Batch equilibrium or other method
- Details on sampling:
- Not applicable
- Details on matrix:
- Not applicable
- Details on test conditions:
- Not applicable
- Computational methods:
- Using the MCI (Molecular Connectivity Index) approach of KOCWIN v2.00 program of EPIWEB v 4.0, the values of the Koc were calculated for the major components i.e. tribehenic and tristearic of fully hydrogenated rapeseed oil.
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- 10 000 000 000
- Remarks on result:
- other: L/kg
- Type:
- log Koc
- Value:
- 14.181 - 17.294
Results: HPLC method
- Details on results (HPLC method):
- Not applicable
Results: Batch equilibrium or other method
- Adsorption and desorption constants:
- The estimated Koc for fully hydrogenated rapeseed oil using MCI approach of KOCWIN v2.00 program (EPIWEB v 4.0) was found to be 1 x 10(10) L/kg.
- 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
Any other information on results incl. tables
None
Applicant's summary and conclusion
- Conclusions:
- The estimated Koc for fully hydrogenated rapeseed oil using MCI approach of KOCWIN v2.00 program (EPIWEB v 4.0) was found to be 1 x 10(10) L/kg.
- Executive summary:
By using the MCI (Molecular Connectivity Index) approach of KOCWIN v2.00 program of EPIWEB v 4.0, the values of the Koc were calculated for the major components i.e. tribehenic and tristearic of fully hydrogenated rapeseed oil. The estimation by this method, may be little less accurate as the molecular weight range for the different chain lengths of fatty acids are outside the molecular weight range of the training set compounds.
The estimated Koc for fully hydrogenated rapeseed oil using MCI approach of KOCWIN v2.00 program (EPIWEB v 4.0) was found to be 1 x 10(10) L/kg.
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