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EC number: 226-552-4 | CAS number: 5423-23-4
- 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:
- other: expert statement
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: expert statement
- Justification for type of information:
- The results of the study performed on guanidinium phosphate can be used in the same way for bisguanidinium phosphate due to the structural similarity of both substances. Guanidinium phosphate is a 1:1 salt of guanidin and phosphoric acid and diguanidinium phosphate is the 2:1 salt of guanidin and phosphoric acid. Therefore the only difference in the structure of the substance is the ratio between guanidine and phosphoric acid.
With this argument the study performed on guanidinium phosphate for determination of the partition coefficient is entered below as study for bisguanidinium phosphate. - Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- (1995)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: Ion Chromatography (see Section 8)
- Type:
- Pow
- Partition coefficient:
- < 0
- Temp.:
- 25 °C
- pH:
- >= 5.21 - <= 5.78
- Remarks on result:
- other: Mean (n=6). Standard deviation: 0.00022
- Type:
- log Pow
- Partition coefficient:
- < -3.48
- Temp.:
- 25 °C
- pH:
- >= 5.21 - <= 5.78
- Remarks on result:
- other: Mean (n=6).
- Details on results:
- No analyte was detected in the n-octanol layer extracts therefore the limit of detection (LOD) for the applied method, 0.5 mg/L, was used as the nominal concentration in the octanol layers. Therefore the calculated average logP value is likely to be lower than -3.48.
The determined values of the partition coefficient expressed as their common logarithms fall within a range of +/- 0.3 log units as noted in the test guidelines and therefore test accuracy is acceptable. Considering the recoveries the deviations are in the range of 94-102%. - Conclusions:
- The partition coefficient (n-octanol/water) (log Pow) of the substance at pH = 5.21 - 5.78 and 25 °C was determined to be < -3.48.
- Executive summary:
The partition coefficient (n-octanol/water) (log Pow) of the substance at pH = 5.21 - 5.78 and 25 °C was determined not under GLP conditions to be < -3.48 by using the shake flask method in accordance with EC A.8 and OECD 107 guidelines.
Reference
Calculation of partition coefficient (Pow and log Pow) for test substance*:
*concentration of test substance in n-octanol phase has been considered to be equal to LOD = 0.5 mg/L.
Test 1A | Test 1B | Test 2A | Test 2B | Test 3A | Test 3B | |
Weight of sample (mg) | 26.766 | 26.766 | 17.844 | 17.844 | 4.461 | 4.461 |
Amount of substance in n-octanol phase (mg) | 0.0045 | 0.0045 | 0.0030 | 0.0030 | 0.0060 | 0.0060 |
Conc. in water phase (mg/L) | 7.54350 | 7.31300 | 7.75850 | 7.81000 | 3.87800 | 3.87500 |
Conc. in water phase x dilution (mg/L) | 1508.7000 | 1462.6000 | 775.8500 | 781.0000 | 387.8000 | 387.5000 |
Amount of substance in water phase (mg) | 27.1566 | 26.3268 | 18.6204 | 18.7440 | 4.6536 | 4.6500 |
Recovery (mg) | 27.1611 | 26.3313 | 18.6234 | 18.7470 | 4.6596 | 4.6560 |
P = conc. in n-octanol / conc. in water | 0.00017 | 0.00017 | 0.00032 | 0.00032 | 0.00064 | 0.00065 |
Mean P values | 0.00017 | 0.00032 | 0.00065 | |||
Mean P for all determinations | 0.00038 | |||||
Standard deviation of individual p from the mean p value | 0.00022 | |||||
log P | -3.770 | -3.770 | -3.495 | -3.495 | -3.194 | -3.187 |
Mean log P value | -3.48 | |||||
pH of aqueous layer | 5.24 | 5.21 | 5.42 | 5.39 | 5.78 | 5.77 |
Description of key information
The partition coefficient (n-octanol/water) (log Pow) of the substance at 25 °C was determined to be < -3.48 by using the shake flask method in accordance with EC A.8 and OECD 107 guidelines.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.48
- at the temperature of:
- 25 °C
Additional information
Key value for CSA: log Pow < -3.48 at 25 °C. pH of the aqueous layer: 5.21 - 5.78. The same value will be used for the guanidine part of the salt in the preparation of the CSA for guanidinium phosphate.
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