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EC number: 259-886-4 | CAS number: 55906-42-8
- 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: experimental study on parent compound
- Adequacy of study:
- supporting study
- Study period:
- 2017-01-11 - 2018-02-28
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 13-Apr-04
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material:
sponsor
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
At ambient temperature
- Stability under test conditions:
The test item is hydrolytically stable according to OECD 111 tier 1. - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0
- Temp.:
- 50 °C
- Remarks on result:
- not determinable
- Conclusions:
- The GLP study was performed according to OECD TG 117 without any deviations on the substance to be registered itself, the results were so obtained via a scientifically reasonable method. Hence, there is no doubt that the obtained results are not reliable: A determination of a partition coefficient (n-octanol/water) with the OECD 117 was not possible. Due to the fact that the test item has a retention before the dead time marker the OECD 117 is not valid to determine the log Pow of the test item.
The OECD 117 shows that the log Pow of the test item is < 0.0. - Executive summary:
The test item 2,5-Dimercapto-1,3,4-thiadiazole (“DMTD”) was tested according to OECD-Guideline 117 with the “HPLC-Method” under GLP. According to the definition of the OECD-Guideline 117 the test item shows a log Pow < 0.0. A more precise determination of the log Pow of the test item was not possible.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 26 Aug 2021 until 04 Nov 2022
- 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)
- Version / remarks:
- recent
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.2
- Temp.:
- 24 °C
- pH:
- > 7.53 - < 7.64
- Remarks on result:
- other: POW = 0.0066 ± 0.0001 (standard deviation)
- Details on results:
- The concentrations of the different test solutions were determined via the peak group of the test item (from 3.5 min to 11.0 min). The results are listed in the table below; each value represents the mean of a duplicate determination.
Test mixture Concentration of test item [mg/g], 1-octanol phase Concentration of test item
[mg/g], aqueous phase
1 0.012 1.770
2 0.012 1.805
3 0.012 1.785
4 0.012 1.845
5 < 0.012 1.805
6 0.012 1.815
The table below summarizes the calculated POW and log POW values, respectively.
Test mixture POW log POW Average POW Average log POW
1 0.0068 -2.169 0.0066 -2.177
2 0.0066 -2.177
3 0.0067 -2.172
4 0.0065 -2.187
5 < 0.0066 < -2.177
6 0.0066 -2.180
Total average over 6 independent determinations is indicated in the section above. - Conclusions:
- Log Pow = -2.2
- Executive summary:
The partition coefficient of the test item Disodium 1,3,4-thiadiazole-2,5-dithiolate was determined according to the OECD Guideline 107 (Shake Flask Method). Based on total average over 6 independent determinations, the following partion coefficient values of POW = 0.0066 ± 0.0001 (standard deviation), Log POW = -2.2 were obtained.
The pH value of the aqueous phases varied from 7.53 to 7.64. The Partition Coefficient was determined at 24.0 °C.
Referenceopen allclose all
A pre test was conducted and its results indicated that the shake flask method is a suitable procedure for the determintaionof the test item´s partition coeficient.
Pre-test – Shake flask:
24.1 mg of the test item were solved in 15 mL ammonium acetate puffer and 15 mL 1-Octanol added.
To determine the chromatographic conditions, this solution was analysed via ion chromatography.
Phase separation was achieved by centrifugation (20 min, 3500 rpm):
- organic phase was clear
- aqueous phase was clear, but slightly yellow
In both solutions the test item was observed via ion chromatography.
Description of key information
The substance partition coefficient was successfully determined in a shake flask method according to OECD Guideline 107 (test item, solid). Another study which was performed according to OECD Guideline 117 with the HPLC method, (test item in a miscibility fo, solution) failed to obtain a precise determination of a log Pow value. A log Pow of -2.2 was obtained from the key flask method study (at 24°C, pH 7.53-7.64).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.2
- at the temperature of:
- 24 °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.
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