Registration Dossier
Registration Dossier
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EC number: 917-270-9 | CAS number: 29790-50-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2021-05-05 to 2021-12-08
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- Water solubility (OECD 105, Method A.6 of Commission Regulation (EC) No. 440/2008)
- GLP compliance:
- no
- Type of method:
- flask method
Test material
- Reference substance name:
- (2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-aminium sulfate
- EC Number:
- 917-270-9
- Cas Number:
- 29790-50-9
- Molecular formula:
- C36H80N2O10S
- IUPAC Name:
- (2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-aminium sulfate
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- white, crystalline solid
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- ca. 6 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- ca. 24 h
- Temp.:
- 23 °C
- pH:
- > 4 - ca. 5
- Key result
- Water solubility:
- ca. 0.35 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- ca. 24 h
- Temp.:
- 23 °C
- pH:
- ca. 2
- Details on results:
- The water solubility of the test item was determined at approx. 23.6 °C to be < 10 mg/L.
For details, please see section “any other information on results incl. tables”.
Any other information on results incl. tables
Preliminary test according method A.6:
A preliminary test according method A.6 was started to determine approximate the amount of test item to be used in the main test. After the third step, 100 mg test item and 1 mL water, the test was stopped since no wetting of the sample with water was recognizable. An indication that confirms the water solubility in the order of phytosphingosine (< 10 mg/L).
Background information
The physical chemical data of phytosphingosine itself are estimated using the ACD/Percepta software release 14.51.0 (release 2020.2.0, build 3435). The temperature-sensitive parameters are calculated for 25 °C.
The water solubility depends on the pH value.
The solubility is calculated at pH ≤ 6.5 in the range of 100 mg/L up to 220 mg/L and above pH 7.7 below 10 mg/L.
Experimentally, the water solubility was determined in the range of 1.4 mg/L up to 3.8 mg/L (ECHA dossier). The pH of the water phases was between 6.4 and 8.5.
These results correlate to some extent with the estimated values.
The calculated concent ation of the protonated form (PS1, net charge +1), as it is present in PS sulphate, increases below pH 8 from approx. 49 % at pH 8 over approx. 90 % at pH 7 to >99 % at pH <6.
Therefore theoretically, as surfactant, PS sulphate should be infinitely soluble in acid solution. Practically, PS sulphate crystallizes immediately. This phenome is documented in the report “Determination of surface tension”.
Applicant's summary and conclusion
- Conclusions:
- The water solubility (availability) of Phytosphingosine sulphate is on average 3.2 mg/L ± 2.96 mg/L and thus in the range of Phytosphingosine.
- Executive summary:
Summary results
pH
Water solubility, mg/L
Coefficient of variation (repeatability), %
Remark
2
0.35
4.8
Real solution
4-5 (as it is)
6.0
2.7
Visually clear but has Tyndall effect.
Water-available part
The water solubility (availability) of Phytosphingosine sulphate is on average 3.2 mg/L ± 2.96 mg/L and thus in the range of Phytosphingosine.
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