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EC number: 816-315-9 | CAS number: 70024-75-8
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 04 Sept-06 Dec 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Key result
- Water solubility:
- 92.9 µg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 5.4 - 6.8
Reference
Main study
During the measurements a tendency to flow rate dependent water solubility was observed. The water solubility was calculated over the 12 mL/min repeat samples and the 6 ml/min samples, i.e. after the column elution method had reached equilibrium. The maximum difference (MD) on the mean values of the samples at these flow rates was ≤ 30%. Based on this, the water solubility of the test substance is given as the mean value of these measurements. The turbidity of the eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates. No test substance was detected in the samples from the blank column.
Flow rate [ml/h] |
Sample No. |
Concentration analysed |
pH |
||||
Individual [µg/l] |
Mean1 [µg/l] |
CV [%] |
Mean2 [µg/l] |
MD [%] |
|||
24
12 |
1 2 3 4 5 6 7 8 9 10
1 2 3 4 5 6 7 8 9 10 |
1003 1093 122 132 124 124 131 141 143 142
181 178 183 190 203 197 2184 2304 2404 2974 |
132
189 |
6.5
5.3 |
160
|
355 |
5.8
6.8 |
1Mean of the concentrations obtained at one flow rate.
2Mean of the concentrations obtained at both flow rates.
3This value was not used for calculation of the mean because the system had not reached equilibrium yet.
4Obtained by extrapolation of the calibration curve. Value was not used for calculation of the mean.
5Based on this maximum deviation, the study was extended.
Flow rate [ml/h] |
Sample No. |
Concentration analysed |
pH |
||||
Individual [µg/l] |
Mean1 [µg/l] |
CV [%] |
Mean2 [µg/l] |
MD [%] |
|||
24 (repeat)
12 (repeat)
6 |
1 2 3 4 5 6 7 8 9 10
1 2 3 4 5 6 7 8 9 10
1 2 3 4 5 6 7 8 9 10 |
32.8 67.8 40 39.3 54.2 32.2 75.3 34.5 17.4 21.5
2143 1523 123 106 122 91 99 86 131 89
62.1 65.3 66.2 94.0 83.7 81.3 2874 119 70.9 76.2 |
41.5
106
79.8 |
45
17
22 |
n.a
92.9 |
n.a
28 |
5.4
6.7
6.2 |
1Mean of the concentrations obtained at one flow rate.
2Mean of the concentrations obtained at both flow rates.
3This value was not used for calculation of the mean because the system had not reached equilibrium yet.
4Outlier according to Dixon’s Q-test.
Results of method development HPLC-MS/MS for quantification of the test substance in water:
Specificity: The chromatogram of the test substance solution showed one test substance peak. The area of this peak was used as response in the calculations.
Linearity: The calibration line was constructed using all data points. There was a linear relationship between response and test substance concentration in the range of 0.200 - 30.0 µg/L (in end solution). Since the coefficient of correlation (r) was >0.99 and the back calculated accuracies of the data points were in the range 85 -115% the calibration line was accepted.
Statistical parameters of the calibration curve:
Slope: 971
Intercept: 16.9
Weighting factor: 1/concentration2
r: 0.997
Accuracy and repeatability: The results of the accuracy samples are given below. Since the mean accuracy at each concentration level fell in the criterion 70 -110% and the coefficient of variation was </=20% the analytical method was accepted for the analysis of the test substance in water in the target concentration range of 0.01 -10 mg/L.
Accuracy samples:
Target concentration [mg/L] |
Nominal concentration [mg/L] |
Analysed concentration [mg/L] |
Accuracy [%] |
Mean accuracy [%] |
Coefficient of variation [%] |
0.01 |
0.0100 |
0.00971 |
97 |
99 |
2.1 |
0.0100 |
0.0103 |
102 |
|||
0.0100 |
0.00988 |
99 |
|||
0.0100 |
0.00979 |
98 |
|||
0.0100 |
0.00995 |
99 |
|||
10 |
9.98 |
9.40 |
94 |
95 |
1.8 |
9.98 |
9.40 |
94 |
|||
9.98 |
9.27 |
93 |
|||
9.98 |
9.72 |
97 |
|||
9.98 |
9.36 |
94 |
Description of key information
92.9 µg/L at 20 °C, pH=5.4-6.8 based on read-across from supporting substance (structural analogue or surrogate).
Key value for chemical safety assessment
- Water solubility:
- 92.9 µg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the substance Decanoic acid, mixed exters with beopentyl glycol and octanic acid (CAS 70693-32-2) was determine according to EU Method A.6 (Water Solubility) using the column elution method.
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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