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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 204-535-2 | CAS number: 122-34-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 7 July 1993 - 28 September 1994
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 995
- Report date:
- 1995
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Simazine
- EC Number:
- 204-535-2
- EC Name:
- Simazine
- Cas Number:
- 122-34-9
- Molecular formula:
- C7H12ClN5
- IUPAC Name:
- 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Test material: Simazine (pure)
- Appearance: White powder
- Batch No.of test material: Ref 766
- Expiration date of the batch: Two years from date of manufacture
- Purity: 99.5%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: In the dark at 4°C
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.18
- Temp.:
- 20 °C
- Remarks on result:
- other: Mean result
- Details on results:
- Calibration data gave a slope of 557606, an intercept of -1126.8 and a correlation coefficient of 0.99861, showing the detector response to be linear in the concentration range employed.
No peak was observed at the retention volume of the test substance in any of the blanks showing that the analytical procedure was free from interferences.
The mean value for the partition coefficient from all determinations was:
P = 151.46
Log P = 2.18
Standard deviation of individual P values about their mean is 17.303.
The range of log P values obtained was 0.12 units - within the repeatability criterion of ±0.3 log units.
Recoveries in the range 98.1 - 104.8% were obtained in the mass balance, hence accounting for all of the test substance.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (n-octanol/ water) of simazine (pure) is:
log P = 2.18 at 20°C
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.
