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EC number: 224-580-1 | CAS number: 4418-26-2
- 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:
- Sept 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Staatliches Gewerbeaufsichtsamt Hildesheim, Germany
- Type of method:
- flask method
- Key result
- Water solubility:
- 231 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 500 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- 8.6
Reference
Method validation
The method showed acceptable results for linearity, accuracy, precision and specificity according to SANCO 3028/99 rev.4 (2000) and fulfilled all study plan requirements. Acceptance criteria and results of the method validation parameter are shown in table below:
Table: Parameter, Acceptance Criteria and Results of the Method Validation
Parameter |
Acceptance criteria |
Result |
|
Linearity |
5 Standard concentrations, r² ≥ 0.992 |
1 to 50 mg test item/L (n=6), r² ≥ 0.992 |
√ |
Lowest calibration standard |
S/N ≥ 9 |
1 mg test item/L, S/N = 11 |
√ |
Limit of Detection (LOD) |
S/N ≥ 3 |
0.5 mg test item/L, S/N = 5 |
√ |
Limit of Quantification (LOQ) |
At least 20% above lowest calibration standard after sample preparation |
10 g test item/L (1 x LOQ) 50 g test item/L (5 x LOQ) Dilution factor of 5000 |
√ |
Accuracy (Fortified samples) |
Mean recovery rate of 70-110% (ideally 80-100%) per fortification level (2 levels) |
1 x LOQ: 97% (n=5) 5 x LOQ: 107% (n=5) |
√ |
Precision |
Relative standard deviation ≤ 20% per fortification level |
1 x LOQ: 0.93% 5 x LOQ: 0.45% |
√ |
Specificity |
Comparison of spectra of sample peaks against spectra obtained from standard peaks |
Spectra compared and test item verified |
√ |
Blank values < 30% of LOQ |
Blank values < 30% of LOQ (no significant signal) |
√ = criterion fulfilled
Table: Recovery Rates of Fortified Samples in Double Distilled Water
Fortified concentration: 10.069 g/L (nominal 10 g/L, 1 x LOQ) and 50.345 g/L (nominal 50 g/L, 5 x LOQ)
Replicate No |
1 x LOQ |
5 x LOQ |
||
Calc. conc. [g/L] |
RR [%] |
Calc. conc. [g/L] |
RR [%] |
|
1 |
9.71 |
96 |
53.6 |
106 |
2 |
9.82 |
98 |
536. |
106 |
3 |
9.71 |
96 |
53.7 |
107 |
4 |
9.81 |
97 |
54.1 |
107 |
5 |
9.93 |
99 |
53.5 |
106 |
Mean |
9.80 |
97 |
53.7 |
107 |
SD |
0.09 |
0.2 |
||
CV [%] |
0.93 |
0.45 |
Calc. conc. = Calculated concentration, exact weight and dilution factor of 5000 taken into account
RR = Recovery rate, related to the fortified concentration
SD = Standard deviation
CV = Coefficient of variation
Check of temperature
Table: Temperature at Pre-Incubation (30 °C) and Thermostatisation Phase (20 °C) (measured hourly)
Intended temperature [°C] |
Measured temperature [°C] |
||
Min. |
Max. |
Mean value ± SD |
|
30.0 ± 0.5 |
29.83 |
30.06 |
29.94 ± 0.06 |
20.0 ± 0.5 |
19.89 |
20.15 |
19.95 ± 0.05 |
The additional manual values confirm the values of the data logger.
Check of the pH-Value
The pH-values were determined with the remaining test item mixtures in the original test vessels, which were kept constant at 20 ± 0.5 °C.
Table: pH-Value of the Test Mixture for Double Distilled Water
Test temperature [°C] |
Pre-incubation time [h] |
Replicate |
Measured pH |
Mean value |
20 |
24 |
1 |
8.650 |
8.6 |
2 |
8.664 |
|||
48 |
1 |
8.652 |
||
2 |
8.623 |
|||
72 |
1 |
8.656 |
||
2 |
8.651 |
|||
Control |
7.018 |
- |
Check of Tyndall effect
Table: Check of the Tyndall-Effect
Pre-incubation time |
Replicate |
Tyndall-Effect |
24 h |
1 |
negative |
2 |
negative |
|
48 h |
1 |
negative |
2 |
negative |
|
72 h |
1 |
negative |
2 |
negative |
|
Control |
negative |
Water Solubility Results
No significant signals were obtained for the control sample.
Table: Water Solubility Results for 20 °C for Dehydroacetic acid sodium salt
Pre-incubation time |
Replicate No. |
Dehydroacetic acid sodium salt [g/L] |
|
Concentration 1) |
Mean |
||
24 h |
1 |
232 |
231 |
2 |
231 |
||
48 h |
1 |
228 |
230 |
2 |
232 |
||
72 h |
1 |
232 |
231 |
2 |
230 |
||
Mean (24 – 72 h) |
|
231 |
|
Deviation [%] (24-72 h) 2) |
0.5 |
1) Mean value of two injections, dilution factor of 10000 and exact weight of the standard taken into account
2) Calculated according to formula given above
Description of key information
The substance dehydroacetic acid sodium salt has a water solubility of 231 g/L at 20 °C, pH = 8.6 (OECD 105, shake flask method).
Key value for chemical safety assessment
- Water solubility:
- 231 g/L
- 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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