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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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
please refer also to Read Across Statement attached in Section 13
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
In this read-across approach data on guanidinium phosphate (CAS 5423-22-3, EC 226-551-9) is used to fill data gaps for bisguanidinium phosphate (CAS 5423-23-4, EC 226-552-4), in accordance with Regulation No 1907/2006 (REACH), Annex XI. The basis for this read-across is the “Read-Across Assessment Framework” (RAAF) (ECHA 2017). The read-across hypothesis for the analogue approach is that both salts bisguanidinium phosphate and guanidinium phosphate result in the identical cat- and anion in a water based environment and have consequently similar (eco)toxicological and fate properties. According to the RAAF this approach is covered by scenario 2: “Different compounds have the same type of effect(s)”.
“This scenario covers the analogue approach for which the read-across hypothesis is based on different compounds with qualitatively similar properties. For the REACH information requirement under consideration, the property investigated in a study conducted with one source substance is used to predict properties that would be observed in a study with the target substance if it were to be conducted. Qualitatively similar properties or absence of effect are predicted. The predicted property may be similar or based on a worst-case approach” (ECHA 2017).
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
In this read-across approach data on guanidinium phosphate (CAS 5423-22-3, EC 226-551-9) is used to fill data gaps for bisguanidinium phosphate (CAS 5423-23-4, EC 226-552-4).
The target substance bisguanidinium phosphate and the source substance guanidinium phosphate are phosphate salts of the base guanidine.
With a pKb of 0.4, guanidine is a strong base. Therefore, in neutral water guanidine occurs fully protonated as its conjugate acid guanidinium cation. Most guanidine derivatives are in fact salts containing guanidinium cation as the conjugate acid. The source and the target substances are phosphate salts of guanidine consisting of guanidinium cation as conjugate acid and phosphate anion as conjugate base. The relation between guanidinium cation and the phosphate anion is 2:1 in the target substance and 1:1 in the source substance. As a consequence, the conjugate base in the target substance is a hydrogenphosphate (HPO4), whereas in the source substance it is a dihydrogenphosphate (H2PO4).
3. ANALOGUE APPROACH JUSTIFICATION
Based on the structural similarity, the similarity in physical chemical properties and the QSAR predicted similarity in the (eco)toxicological profile, the read-across approach is justified. Thus, the available studies for the source substance guanidinium phosphate were used to fill data gaps for bisguanidinium phosphate for several environmental and toxicological endpoints. Since phosphates are endogenous compounds occurring in nature in considerable amounts, the guanidinium ions are considered to trigger the (eco)toxicity of bisguanidinium phosphate. To account for the higher guanidine content in the target substance bisguanidinium phosphate (2:1) when compared to the source substance guanidinium phosphate (1:1), the hazard values found for the source substance in experimental studies were calculated for the target substance (please refer to 'Any other information on results').
Regarding short-term toxicity to invertebrates, a study according to OECD Guideline 202 and GLP is available for the source substance guanidinium phosphate. D. magna was exposed to guanidinium phosphate under static conditions at the following nominal concentrations: 0 (blank control), 0.1, 1, 10, and 100 mg/L. The test substance induced no immobilization in daphnia at the highest tested nominal exposure concentration of 100 mg/L. Thus, the EC50 (48h) was >100 mg/L based on analytically confirmed nominal concentrations. The study is considered to be reliable without restrictions. Considering the guanidinium content, this corresponds to an EC50 of > 68.81 mg/L for the target substance bisguanidinium phosphate (please refer to 'Any other information on results').
4. DATA MATRIX
The data matrix is included in the Read Across Statement attached in Section 13 - Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- assessment report
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 68.81 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Details on results:
- - Measured concentrations: Analysis of the samples taken from the 100 mg/L concentration showed that the actual concentration was in agreement with nominal and remained stable during the test period (97-107%). Given this result the EC50-value was based on the nominal test concentration.
- Biological results: A single daphnid was found immobilized at the highest test concentration (100 mg/L). For the lower test concentrations and the blank control no immobilized daphnids were observed.
- Acceptability of the test:
1. In the control, no daphnids became immobilised.
2. The oxygen concentration at the end of the test was ≥3 mg/L in control and test vessels. - Results with reference substance (positive control):
- - Potassium dichromate (K2Cr2O7): The 48h-EC50 was 0.53 mg/L (95% confidence interval between 0.49 and 0.62 mg/L)
- Validity criteria fulfilled:
- yes
- Conclusions:
- The 48h-EC50 for Daphnia magna exposed to guanidine phosphate (1:1) was >100 mg/L. Considering the guanidinium content, for the target substance bisguanidinium phosphate, this corresponds to an EC50 of > 68.81 mg/L.
- Executive summary:
In a 48-h acute toxicity study conducted according to OECD guideline 202, water fleas (Daphnia magna) were exposed to guanidine phosphate (1:1) under static conditions at the following nominal concentrations: 0 (blank control), 0.1, 1, 10 and 100 mg/L. The test substance induced no immobilization in daphnids at a nominal exposure concentration of 100 mg/L. The 48h-EC50 was >100 mg/L based on analytically confirmed nominal concentrations. The study is considered to be reliable without restrictions. Considering the guanidinium content, for the target substance bisguanidinium phosphate, this corresponds to an EC50 of > 68.81 mg/L.
Reference
calculation of hazard values for bisguanidine phosphate
Guanidinium content in guanidinium phosphate
MW (guanidinium phosphate) = 157.04 g/mol
MW (guanidinium ion) = 60.07 g/mol
proportion of guanidinium ion in guanidinium phosphate = MW (guanidinium ion) / MW (guanidinium phosphate) = 60.07 / 157.04 = 0.38
Guanidinium content in bisguanidinium phosphate
MW (bisguanidinium phosphate) = 216.11 g/mol
MW (guanidinium ion) = 60.07 g/mol
proportion of guanidinium ion in bisguanidinium phosphate = 2 * MW (guanidinium ion) / MW (bisguanidinium phosphate) = 2 * 60.07 / 216.11 = 0.56
EC50 (guanidinium phosphate) = > 100 mg/L
EC50 (guanidinium ion) = EC50 (guanidinium phosphate) * 0.38 = > 38.25 mg/L
EC50 (bisguanidinium phosphate) = > 38.25 mg/L / 0.56 = > 68.81 mg/L
Description of key information
Read across: OECD 202, D. magna, GLP, EC50 (48 h) > 68.81
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 68.81 mg/L
Additional information
Regarding short-term toxicity to invertebrates, a study according to OECD Guideline 202 and GLP is available for the source substance guanidinium phosphate. D. magna was exposed to guanidinium phosphate under static conditions at the following nominal concentrations: 0 (blank control), 0.1, 1, 10, and 100 mg/L. The test substance induced no immobilization in daphnia at the highest tested nominal exposure concentration of 100 mg/L. Thus, the EC50 (48h) was >100 mg/L based on analytically confirmed nominal concentrations. The study is considered to be reliable without restrictions. Considering the guanidinium content, this corresponds to an EC50 of > 68.81 mg/L for the target substance bisguanidinium phosphate.
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