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EC number: 263-731-6 | CAS number: 62780-89-6
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22 July - 01 October 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Batch n°: A14JB3422
- Analytical purity: 93.3%
- Expiration date: 30 September 2016
- Storage condition: at room temperature - Analytical method:
- high-performance liquid chromatography
- photometric method
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.2
- Temp.:
- 20 °C
- pH:
- 6.7
- Details on results:
- Calculation method
Calculation of the Pow:
The Pow of the test item was calculated to be 46.8 (log Pow 1.67) using the Rekker calculation method.
Calculation of pKa values:
No pKa values for acidic and basic groups in the molecular structure of the test item in the logarithmic range of 1 - 14 were calculated. The test was therefore performed at pH 7.
Preliminary test
The content of the test item dissolved in the n-octanol sample after 3 centrifugation steps was 34.9 g/L. Which means that almost all test item had dissolved.
Main study
The analysed concentration of the stock solution was 3.93 g/L. Based on this, the nominal quantity of the test item in the test samples was 7.9 mg. The recoveries were determined according to this value. The log Pow values were within the criterion range of ± 0.3 log units. Based on this, the Pow and log Pow of the test item is given as the mean value of all measurements.
No test item was detected in the pre-treated samples from the blank mixture. - Conclusions:
- The shake flask method at pH 7 was applied for the determination of the partition coefficient (Pow) of JNJ-119717-AAA (T001036). The Pow value of the test item at 20°C was 1.6E+02. This corresponds to a log Pow value of 2.2.
Reference
Ratio n-octanol:water (v:v) | Analysed concentration
|
Pow | Pow (mean) | log Pow | pH | ||||
1:1 | 1.30 | 0.00703 | 1.8E2 | 1.4E2 | 2.3 | 6.7 | |||
1:1 | 1.32 | 0.0151 | 8.8E1 | 1.9 | 6.7 | ||||
1:2 | 1.87 | 0.0106 | 1.8E2 | 1.5E2 | 2.2 | 6.7 | |||
1:2 | 1.83 | 0.0138 | 1.3E3 | 2.1 | 6.7 | ||||
2:1 | 0.966 | 0.00533 | 1.8E2 | 1.8E2 | 2.3 | 6.7 | |||
2:1 | 0.936 | 0.00530 | 1.8E2 | 2.2 | 6.7 | ||||
Mean | 1.6E2 | 2.2 | |||||||
Standard deviation | 3.9E1 |
Description of key information
The partition coefficient (Pow) of T001036 was determined by using the shake flask method at pH 7 in a GLP study according to OECD Guideline 107, EU Method A.8. and EPA OPPTS 830.7550. The Pow value of the test item at 20°C was 1.6E+02. This corresponds to a log Pow value of 2.2.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.2
- at the temperature of:
- 20 °C
Additional information
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.

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