Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 700-132-5 | CAS number: 863782-35-8
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 4 March - 18 April 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study has been performed according to EC guidelines and according to GLP principles.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Technical Guidance document in support of Commission Directive 93/67/EEC on Risk Assessment for new notified substances and Commission Regulation (EC) 1488/94 on Risk Assessment for existing substances. Part III Use of (Quantitative) Structure Activity Re
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- 3-(C6-16, (even numbered) and C16 unsaturated alkyl)-4-(C7-17 (odd numbered) and C17 unsaturated alkylidene)-oxetan-2-one
- EC Number:
- 700-132-5
- Cas Number:
- 863782-35-8
- Molecular formula:
- See remarks.
- IUPAC Name:
- 3-(C6-16, (even numbered) and C16 unsaturated alkyl)-4-(C7-17 (odd numbered) and C17 unsaturated alkylidene)-oxetan-2-one
- Details on test material:
- - Name of test material (as cited in study report): Aquapel® 203
- Substance type: yellow fatty liquid
- Physical state: liquid
- Analytical purity: 89.9%
- Lot/batch No.: G12FY067
- Expiration date of the lot/batch: 12 June 2008
- Stability under storage conditions: stable
- Storage condition of test material: at room temperature in the dark
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- Not applicable.
HPLC method
- Details on study design: HPLC method:
- Preliminary tests were performed to investigate whether the adsorption coefficient (Koc) of the test substance could be determined by the HPLC method. In the chromatograms obtained under standard conditions no test substance related compounds were observed (results are archived in the raw data). Possible reasons could be that the test substance eluted with the injection plug, interacted strongly with the stationary phase of the analytical column and/or was not completely dissolved in the aqueous test solutions. Based on the results obtained it was concluded that it was not possible to obtain the Koc of the test substance using the HPLC method. A quantitative structure activity relationship (QSAR) was applied for the determination of the Koc of the test substance.
Batch equilibrium or other method
- Analytical monitoring:
- not required
- Computational methods:
- According to information on the water solubility of the test substance i.e. < 1 mg/l, the substance was classified as “predominantly hydrophobic”. For this chemical class, the log Koc equation is given as:
log Koc = 0.81 logPow + 0.10
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- > 230 000
- Type:
- log Koc
- Value:
- > 5.4
Any other information on results incl. tables
The log Pow of the test substance was > 6.5. Using this value, the log Koc of the test substance was calculated to be > 5.4. It corresponds with a Koc value of > 2.3 x 10^5.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The log Pow of the test substance was > 6.5. Using this value, the log Koc of the test substance was calculated to be > 5.4. It corresponds with a Koc value of > 2.3 x 10^5.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
