Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 200-500-0 | CAS number: 61-19-8
- 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 - 30 March 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- Test not performed with non-charged species, as the amount of non-charged species in the environmentally relevant pH range is negligible. Test was conducted at ca. pH 6.25, were the once and twice negatively charged species are present in equal parts.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- yes
- Remarks:
- Test not performed with non-charged species, as the amount of non-charged species in the environmentally relevant pH range is negligible. Test was conducted at ca. pH 6.25, were the once and twice negatively charged species are present in equal parts.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Adenosine phosphate
- EC Number:
- 200-500-0
- EC Name:
- Adenosine phosphate
- Cas Number:
- 61-19-8
- Molecular formula:
- C10H14N5O7P
- IUPAC Name:
- adenosine phosphate
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Test material form:
- solid: crystalline
- Remarks:
- crystalline powder
- Details on test material:
- Batch No: 11679700
Storage: at room temperature, protected from light
Constituent 1
impurity 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -1.94
- Temp.:
- 22 °C
- pH:
- 6.26
- Remarks on result:
- other: The determined log POW values ranged from <-1.95 to <-1.93 for all three volume ratios and all replicates. Std. deviation from six determinations: ±0.004.
- Details on results:
- Calculation method
The log Pow of the test item was calculated to be -1.68 using EPI Suite™ v4.11, KOWWIN v1.68. However, KOWWIN only calculates the log Pow of the uncharged molecule, but the test item is ionisable. The determination of the log Pow of the test item should be performed in its non-ionised form. However, in the environmentally relevant pH range of pH 5 to 9, the amount of non-charged species is negligible. Instead, the once- and twice negatively charged species dominate. Therefore, an even lower log Pow than -1.68 is expected.
Flask method
The determined log Pow values ranged from <-1.93 to <-1.95 for all three volume ratios and all replicates. For each replicate, the mass balance calculation showed that the experiment was reliably conducted, as the recovery rates ranged from 98% to 101%. The log Pow of the test item is given as the mean value of all measurements. Detailed results are given in the table in the field 'Any other information on results incl. tables'.
Any other information on results incl. tables
Ratio n-octanol:water (v:v) | Analysed concentration n-octanol (mg/L) |
Analysed concentration water (mg/L) | Pow | log Pow | pH | |
1:4 | <34.2 | 2994 | <0.0114 | <-1.94 | 6.26 | |
1:4 | <34.2 | 3004 | <0.0114 | <-1.94 | 6.26 | |
1:9 | <34.2 | 3000 | <0.0114 | <-1.94 | 6.26 | |
1:9 | <34.2 | 3002 | <0.0114 | <-1.94 | 6.26 | |
1:19 | <34.2 | 2937 | <0.0117 | <-1.93 | 6.26 | |
1:19 | <34.2 | 3018 | <0.0113 | <-1.95 | 6.26 | |
Mean | <-1.94 |
Further remarks
The result obtained is lower than the predicted log Pow value of -1.68 for the uncharged molecule (EPI Suite™ v4.11, KOWWIN v1.68). However, this was to be expected, as the amount of non-charged species is negligible in the environmentally relevant pH range of 5 to 9, where the once and twice negatively charged species dominate, whose log Pow are expected to be significantly lower.
Applicant's summary and conclusion
- Conclusions:
- The shake flask method according to TG OECD 107 was applied for the determination of the log Pow of AMP (CAS 61-19-8). The determined log Pow value of AMP at pH 6.26 is <-1.94 with a standard deviation of ± 0.004.
- Executive summary:
The log Pow of the test item Adenosine-5’-monophosphate (AMP, CAS no. 61 -19 -8) was determined according to TG OECD 107.
Aqueous phosphate buffer at pH 6.26, 1-octanol and the test item were equilibrated in test vessels by shaking, applying three different volume ratios of the two solvents. Subsequently, the test item concentrations were determined in both solvent phases. The determined log Pow values ranged from <-1.93 to <-1.95 for all three volume ratios and all replicates. For each replicate, the mass balance calculation showed that the experiment was reliably conducted, as the recovery rates ranged from 98% to 101%. The determined log Pow value of Adenosine-5’-monophosphate (AMP) at pH 6.26 is <-1.94 with a standard deviation of ± 0.004. The validity criterion was fulfilled.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.