Registration Dossier
Registration Dossier
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EC number: 922-520-5 | CAS number: -
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSAR calculation of the log Koc
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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 limited documentation / justification
- Justification for type of information:
- Relatively simple structure consisting of only carbon, oxygen and hydrogen fitting well in the applicability domain of the neutral organics class in the QSAR model used.
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2019
Materials and methods
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Media:
- other: QSAR
Test material
- Reference substance name:
- C12-16 alkyl, glycerol ether
- EC Number:
- 922-520-5
- Molecular formula:
- N.A UVCB
- IUPAC Name:
- C12-16 alkyl, glycerol ether
- Test material form:
- liquid
- Details on test material:
- Identification: C12 – 16 alkyletherdiol
Appearance: Opaque white to light yellow liquid (determined by Charles River Den Bosch)
CAS: Not available
Lot/Batch: D7801-171116001
Date of Production: 17.11.2017
Best before Date: Within 2 years
UVCB 100%
1
Results and discussion
Adsorption coefficientopen allclose all
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 200.1 L/kg
- pH:
- 7
- Temp.:
- 25 °C
- Matrix:
- QSAR estimate from MCI using fragment corrections for aliphatic alchohol and ethers
- % Org. carbon:
- 2
- Remarks on result:
- other: calculated for the C14 constituent
- Key result
- Sample No.:
- #2
- Type:
- Koc
- Value:
- 473.8 L/kg
- pH:
- 7
- Temp.:
- 25 °C
- Matrix:
- QSAR estimate from log Kow using fragment corrections for aliphatic alcohol and ether
- % Org. carbon:
- 2
- Remarks on result:
- other: calculated for the C14 constituent
Results: HPLC method
- Details on results (HPLC method):
- Not applied
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- Considering the tonnage range, calculation of the Koc of C12 -16 alkyl, glycerol ether as a first estimate is considered justified.
- Executive summary:
Considering the tonnage range the Koc of C12 -16 alkyl, glycerol ether was calculated using KOCWIN v2.00. As a realistic worst-case the Koc was calculated for the C14 constituent.
The Koc estimate from MCI is 200.1 L/kg
The Koc estimate from log Kow is 473.8 L/kg
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