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EC number: 916-222-4 | CAS number: -
- 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 01/02/2018 - 28/08/2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)
- EC Number:
- 916-222-4
- Molecular formula:
- C51H99N2O6.CH3O4S
- IUPAC Name:
- Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)
Constituent 1
- Specific details on test material used for the study:
- Name: AGENT 5088-127A
Lot No. Purity Manufactured date Retest date
5124-143-001 100% 20/12/2017 20/12/2020
Study design
- Analytical method:
- not specified
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.96
- Temp.:
- 20 °C
- pH:
- 7.5
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (log P) of the test item, AGENT 5088-127A based on the approximate solubility (at room temperature) of the test item in
n-octanol and water is estimated to be 3.96. - Executive summary:
dissolved test item before making the next addition of solvent. On observing the presence of
un-dissolved test item, an incremenatal addition of 0.4 mL of n-octanol was added to each measuring cylinder to get a total volume of 0.5 mL and the cylinders were stoppered, shaken vigorously and stored at room temperature for 10 min with intermittent shaking. After 10 min of storage at room temperature, the test item was observed to be dissolved in 0.5 mL of
n-octanol and the approximate solubility of the test item was 0.2 g/mLSolvent
Repli-cation
Weight of test item (g)
Total Volume of n-octanol added
(mL)
Approximate Solubility
(g/mL)
n-octanol
R1
0.1009
0.5
0.2
R1
0.1012
0.5
0.2
R1
0.1018
0.5
0.2
Solubility of Test Item in water
About 0.01 g of test item was weighed in triplicate in to separate 10 mL glass stoppered measuring cylinders. Then, 0.1 mL of double distilled water was added to each measuring cylinders followed by incremental addition of
0.4 mL, 0.5 mL,1.0 mL and 8.0 mL upto a total volume of 10 mL. After addition of each aliquot of double distilled water, the cylinders were stoppered, shaken vigorously and stored at room temperature for 10 min with intermittent shaking. After 10 min of storage at room temperature, the measuring cylinders were taken out and the contents of the cylinders were visually checked for presence of any un-dissolved test item before making the next addition of solvent. On observing the presence of un-dissolved test item after addition of 10 mL of double distilled water, the contents of the measuring cylinder were quantitatively transferred to a 500 mL measuring cylinder using double distilled water and the volume was made up to 100 mL with double distilled water followed by incremental addition of 50 mL upto a total volume of 450 mL. Later, the measuring cylinders were stoppered, shaken vigorously and stored at room temperature for 10 min with intermittent shaking. The test item was observed to be dissolved in 450 mL of double distilled water and the approximate solubility of the test item was 0.2 g/mLSolvent
Repli-cation
Weight of test item (g)
Total Volume of n-octanol added
(mL)
Approximate Solubility
(g/mL)
n-octanol
R1
0.0113
450
0.000022
R2
0.0116
450
0.000022
R3
0.0109
450
0.000022
Based on the above estimation of approximate solublity of the test item in
n-octanol and water, the partition coefficient of the test item was estimated as follows:POW=
Cn-octanol
Cwater
=
0.2
0.000022
=
9090.91
log POW= log (9090.91)
= 3.96
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