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EC number: 948-778-9 | 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
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2019
- 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)
- 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: 23ADB/50
- Expiration date of the lot/batch: 21-11-2023
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temperature
- Stability under test conditions: 5 years - Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- < 0.5
- Temp.:
- 25 °C
- pH:
- 7.5
- Details on results:
- The partition coefficient (n-octanol/water) of the test item was determined according to “OECD 117-Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method” at the test temperature of 25 ° C and a pH value of 7.5.
The partition coefficient (n-octanol/water) has to be calculated for every peak with RT (retention time) higher than RT of Thiourea (about 1.77 min), but under the chromatographic conditions specified in this guideline, the analyte peak elute before the Thiourea peak.
For this reason, the log Pow is not calculable.
However, all the three measurements showed a retention time much lower than the reference items (4-Acetylpyridine have a log Pow equal to 0.5). Then the log Pow of the test item “Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate” is indicated as <0.5. - Conclusions:
- The log Pow of the test item “Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate” is <0.5.
- Executive summary:
The partition coefficient of the test item Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate has been determined experimentally according to test guideline OECD 117.
The partition coefficient (n-octanol/water) has to be calculated for every peak with RT (retention time) higher than RT of Thiourea (about 1.77 min), but under the chromatographic conditions specified in the chapter ‘Experimental procedure’ and according to OECD 117 guidelines, the analyte peak elute before the Thiourea peak.
For this reason, the log Pow is not calculable, as is the calculation of a mean and standard deviation for the test item.
However, all the three measurements showed a retention time much lower than the reference items (4-Acetylpyridine have a log Pow 0.5). Then the log Pow of the test item “Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate” is indicated as <0.5.
The partition coefficient (n-octanol / water) (log Pow) of the test substance Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate
was determined at the test temperature of 25 °C and a pH value of 7.5.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2019
- 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)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- The test sample consists of a brown liquid contained in a 5L plastic tank. An aliquot of test sample was
used for the analysis.
Name Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate
Batch 23ADB/50
Manufacturing date November 22nd, 2018
Expiry date November 21st, 2023 - Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- ca. -2.94
- Temp.:
- 20 °C
- pH:
- 7
- Conclusions:
- Under the chromatographic conditions specified in the chapter 'Experimental procedure' and according to OECD 107 guidelines, the log Powof the test item "Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate" at pH=7 and 20°C±1°C proved to be <-2. with a calculated value of -2.94.
- Executive summary:
The aim of the study was to determine the partition coefficient (n-octanol/water) Powof the test item "TRISODIUM (2S)-2.6-BIS(3-CARBOXYLATOPROPANAMIDO)HEXANOATE" according to OECD 107 guideline at pH 7.
Test vessels containing the two-phase system were placed in a mechanical shaker at the set temperature. After a set mixing time and the phase separation, the test substance concentrations were determined in both phases and the total quantity of test substance present was calculated and compared to the amount initially added.
The test for the determination of Pow was carried out in temperature range (20±1)°C. Two sample solutions for each volume ratio of the 2 phases were performed.
An HPLC-UV method was applied to quantify the active substance TRISODIUM (2S)-2.6-BIS(3-CARBOXYLATOPROPANAMIDO) HEXANOATE coming from the aqueous and the octanol phase. All the determinations have been performed at pH = 7 and used for the partition coefficient determination at this pH.
Under the chromatographic conditions specified in the chapter 'Experimental procedure' and according to OECD 107 guidelines, the log Powof the test item "Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate" at pH=7 and 20°C±1°C proved to be <-2. with a calculated value of -2.94.
Referenceopen allclose all
Description of key information
The partition coefficient (n-octanol / water) (log Pow) of the test substanceTrisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate
was determined at the test temperature of 20 °C and a pH value of 7.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.94
- 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.
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