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EC number: 204-124-8 | CAS number: 116-09-6
- 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:
- key study
- Study period:
- 2018-10-10
- 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 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 31 May 2008
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- Remarks on result:
- other: no pH value stated in the report
- Details on results:
- please refer to 'Any other information on results incl. tables'.
- Conclusions:
- The log POW of Hydroxyaceton is stated as < 0.3.
- Executive summary:
The study was conducted according to OECD 117 resp. EU A.24, not under GLP-conditions.
The pre-test was performed using a HPLC with a C18 column. Six reference substances with different retention times and thiourea (reported log POW -0.92 IUCLID ECHA homepage; information delivered by the sponsor) for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POW are correlated. The reference substances were chosen based on the expected log POW of the test substance.
One vial was filled with the reference substance mix and one vial with the test substance solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/water 65/35 (v/v) was made. Then test substance solution and reference mix were injected.
For each reference substance, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference substance.
A calibration function (log k versus log POW, linear fit) was determined using the literature values for POW of the reference substances and the retention times in the six determinations.
The chromatogram of the test substance solution showed 1 peak.
Using the correlation log K / log POW, the log POW of the test substance peak was calculate.: The retention time of the test item was very close to the retention time of thiourea (dead time) and is therefore estimated to be in the range of around -1. The calculated log POW of the test substance peak lay below the lowest log POW of the reference substances (2-Buta-none with log POW 0.3). Based on this the log POW of this peak is stated as < 0.3 (around -1).
The log POW of Hydroxyacetone is therefore stated as < 0.3 (being in the range of -1).
Reference
REFERENCE SUBSTANCE
1. Measurement Data and Calculated Values
For each reference substance, the retention time the calculated capacity factor are presented in the following table.
The values for log k and log POW of the reference substances are presented in the following table.
Table: Retention Times (RT) and Capacity factors Reference Substances and dead time and log k and log POW of Reference Substances
Compound | Retention time in min. | k | log k | log POW |
Thiourea | 1.492 | 0.0000 | ||
2 -Butanone | 1.967 | 0.3184 | -0.4970 | 0.30 |
Benzyl alcohol | 2.417 | 0.6201 | -0.2075 | 1.10 |
Acetophenone | 3.058 | 1.0503 | 0.0213 | 1.70 |
Nitrobenzene | 3.658 | 1.4525 | 0.1621 | 1.90 |
Benzene | 5.258 | 2.5251 | 0.4023 | 2.10 |
Toluene | 8.625 | 4.7821 | 0.6796 | 2.70 |
2. Correlation Results
Equation of regression: log k = 0.4954 * log POW - 0.7157 with a coefficient of determination r2 = 0.9654
TEST SUBSTANCE
1. Measurement data
The retention time of the test substance was 1.533.
2. Calculated Values and Result
The calculated values are presented in the following table:
Table: Capacity Factor, log Capacity Factor, log POW Test Substance
Measurement | k | log k | log POW |
Measurement 1 | 0.0279 | -1.5539 | -1.692 |
The log POW was calculated from the capacity factor as follows:
log POW = (log k + 0.7157) / 0.4954
The retention time of the test item was very close to the retention time of thiourea (dead time; reported log POW -0.92 IUCLID ECHA homepage; information delivered by the sponsor) and is therefore estimated to be in the range of around -1. The calculated log POW of the peak lay below the lowest log POW of the reference substances (2-Butanone with log POW 0.3).
Based on this the log POW of this peak is stated as < 0.3 (around -1).
The log POW of Hydroxyaceton is therefore stated as < 0.3 (being in the range of -1).
Description of key information
The key study was conducted according to OECD 117 resp. EU A.24, not under GLP-conditions.
The pre-test was performed using a HPLC with a C18 column. Six reference substances with different retention times and thiourea (reported log POW -0.92 IUCLID ECHA homepage; information delivered by the sponsor) for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POW are correlated. The reference substances were chosen based on the expected log POW of the test substance.
One vial was filled with the reference substance mix and one vial with the test substance solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/water 65/35 (v/v) was made. Then test substance solution and reference mix were injected.
For each reference substance, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference substance.
A calibration function (log k versus log POW, linear fit) was determined using the literature values for POW of the reference substances and the retention times in the six determinations.
The chromatogram of the test substance solution showed 1 peak.
Using the correlation log K / log POW, the log POW of the test substance peak was calculated: The retention time of the test item was very close to the retention time of thiourea (dead time) and is therefore estimated to be in the range of around -1. The calculated log POW of the test substance peak lay below the lowest log POW of the reference substances (2-Buta-none with log POW 0.3). Based on this the log POW of this peak is stated as < 0.3 (around -1).
The log POW of Hydroxyacetone is therefore stated as < 0.3 (being in the range of -1).
This value is in line with the prediction via EPIWIN (-1.95).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.3
- at the temperature of:
- 25 °C
Additional information
The stated key value for CSA is applicable for risk assessment because it shows that the test substance is a hydrophilic substance.
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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