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EC number: 810-213-8 | CAS number: 1370461-06-5
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The test item is a mixture of components (see charcterization study no. 14L00403 from Competence Center Analytics, BASF SE, D-67056
Ludwigshafen), which differ in their chemical behaviour.
It is evident that each of the single components of this mixture shows different properties, in particular concerning partition coefficient
n-octanol/water (Pow). Due to this, the determination of log Pow corresponding to OECD Guideline for the Testing of Chemicals 107 (shake flask
method) is not feasible. Because the test item cannot be chromatographed under the prescribed conditions, the determination of log Pow
corresponding to the HPLC-method (OECD Guideline for the Testing of Chemicals 117) is not feasible, as well.
Thus, the log Pow can only be estimated from the single solubilities in n-octanol and in water. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Estimation via the single solubilities in n-octanol and in water
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- sra-[(2E)-2-butenedioato(2-)hydroxy aluminium]
- EC Number:
- 810-213-8
- Cas Number:
- 1370461-06-5
- Molecular formula:
- C4 H3 Al O5
- IUPAC Name:
- sra-[(2E)-2-butenedioato(2-)hydroxy aluminium]
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- Name of test material (as cited in study report): Aluminum, [(2E)-2-butenedioato(2-)-01 ]hydroxy-
Analytical purity: Approx. 85.8 g/100g (Based on the determined content of fumarate an amount of 85.8 g/100 g of Al-fumarate-OH (C4H3O5Al) is postulated. The determined amount of aluminium is about 2.6 g/100 g higher than expected. Therefore the missing 11.2 g/100 g of impurity
are supposed to be Al(OH)3 because no additional signals are visible in 1H-NMR spectroscopy and the calculated elemental analysis matches to that postulate. Determined during GLPstudy no. 14L00403 from Competence Center Analytics, BASF
Lot/batch No.:13-0001-2
Expiration date of the lot/batch: Sep 30, 2014
Storage condition of test material: RT
Constituent 1
Study design
- Analytical method:
- other: the content of aluminium was determined
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- < -1.2
- Temp.:
- 23 °C
Any other information on results incl. tables
Individual Results
The aluminium content of test item was determined to 17.08 g/100 g (determined during GLPstudy No. 14L00405 from Competence Center Analytics, BASF SE, D-67056 Ludwigshafen).
Sample
|
mtest item [mg] |
vn-octanol [mg]
|
Sample size1)
|
Al-content2)
|
Mean value of the Al-content2) [mg/L] |
Corresponding dissolved test item3) [mg/L] |
Dissolved fraction4) [%] |
n-octanol used
|
< 0.3 |
|
|
|
|||
1-24 h |
257.63 |
250 |
1.0 |
< 0.3 < 0.3 |
< 0.3 |
< 1.76 |
< 0.17 |
3-48 h |
248.58 |
250 |
1.0 |
< 0.3 < 0.3 |
< 0.3 |
< 1.76 |
< 0.18 |
5-72 h |
248.06 |
250 |
1.0 |
< 0.3 < 0.3 |
< 0.3 |
< 1.76 |
< 0.18 |
2-24 h |
2451.83 |
250 |
9.8 |
< 0.3 < 0.3 |
< 0.3 |
< 1.76 |
< 0.02 |
4-48 h |
2417.27 |
250 |
9.7 |
< 0.3 < 0.3 |
< 0.3 |
< 1.76 |
< 0.02 |
6-72 h |
2521.59 |
250 |
10.1 |
< 0.3 < 0.3 |
< 0.3 |
< 1.76 |
< 0.02 |
Mean value of all single values for sample size 1 g/L
|
< 1.76 |
< 0.18 |
|||||
Mean value of all single values for sample size 10 g/L
|
< 1.76 |
< 0.02 |
1) m test item related to 1 liter of n-octanol;
2) mg Al / liter of solution;
3) calculated from the content of Al of the test solutions and the content of Al of the test item;
4) dissolved fraction of test item relating to sample size.
Remark: All results are calculated with not rounded values.
Result
The n-octanol solubility of the test item at T = 20.0 °C ± 0.5 °C is < 1.8 mg/L for sample sizes 1 g/L and 10 g/L.
Estimation of the log Pow from the single solubilities
Estimation of log Pow with water solubility determined via TOC
With a water solubility of 80 mg/L (corresponding to a sample size of 1 g/L) and a n-octanol solubility of < 1.76 mg/L, the log
Pow can be estimated from the single solubilities as:
Pow = c octanol / c water = < 1.76 mg/l / 80 mg/l = < 0.022 log Pow = < -1.66
With a water solubility of 174 mg/L (corresponding to a sample size of 10 g/L) and a n-octanol solubility of < 1.76 mg/L, the log
Pow can be estimated from the single solubilities as:
Pow= coctanol/ cwater= < 1.76 mg/l / 174 mg/l = < 0.0101149 log Pow= < -2.00
Estimation of log Pow with water solubility determined via aluminium content
With a water solubility of 30 mg/L (corresponding to a sample size of 1 g/L) and a n-octanol solubility of < 1.76 mg/L, the log
Pow can be estimated from the single solubilities as:
Pow= coctanol/ cwater= < 1.76 mg/l / 30 mg/l = < 0.0586666 log Pow= < -1.23
With a water solubility of 92 mg/L (corresponding to a sample size of 10 g/L) and a n-octanol solubility of < 1.76 mg/L, the log
Pow can be estimated from the single solubilities as:
Pow= coctanol/ cwater= < 1.76 mg/l / 92 mg/l = < 0.0191304 log Pow= < -1.72
Result
Estimation via the single solubilities in n-octanol and in water: log Pow < -1.2
Applicant's summary and conclusion
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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