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EC number: 811-605-1 | CAS number: 37318-95-9
- 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:
- weight of evidence
- Study period:
- 30-May-2016 to 07-Jun-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)
- GLP compliance:
- no
- Type of method:
- column elution method
- Remarks on result:
- other: The water solubility could not be determined.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- other: ISO 304
- Principles of method if other than guideline:
- Water solubility is derived from surface tension measurements
- GLP compliance:
- no
- Type of method:
- other: ISO 304
- Water solubility:
- 6 mg/L
- Temp.:
- 20 °C
- Remarks on result:
- other: CMC = 6.0E-4 %w/w
- Endpoint:
- water solubility
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- Summary of available data used for the endpoint assessment of the target substance.
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- refer to analogue justification provided in IUCLID section 13
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Water solubility:
- 6 mg/L
- Temp.:
- 20 °C
- Remarks on result:
- other: CMC = 6.0E-4 %w/w
- Water solubility:
- < 1.63 µg/L
- Temp.:
- 20 °C
- pH:
- 6.3
- Conclusions:
- The water solubility of this substance was deduced from the measurement of similar substances.
2,3-dihydroxypropyl laurate (CAS 142-18-7) is a mono-constituent, C12, monoester. The water solubility was determined to be 6.0 mg/L at 20 °C.
Glycerol tristearate (CAS 555-45-3) is a mono-constituent, C14, triester. The water solubility was determined to be < 1.63E-03 mg/L at 20 °C.
The target substance is a UVCB, C12, mono, di and triester.
For analogue substances with the same structural backbone water solubility is a property where increasing chain length leads to decreasing solubility. Therefore, the water solubility for the target substance can be deduced to be > 1.63E-03 mg/L at 20 °C and < 6.0 mg/L at 20 °C. - Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Aug 16 - 23, 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)
- GLP compliance:
- no
- Type of method:
- column elution method
- Key result
- Water solubility:
- < 1.63 µg/L
- Temp.:
- 20 °C
- pH:
- 6.3
Referenceopen allclose all
Study results
The determined ratio of glycerides in the different samples a) hazy supernatant, b) residue and c) test item are summarised in the table below:
|
Hazy Supernatant [%] |
Residue [%] |
Test Item [%] |
C12-Monoglyceride |
86.0 |
32.4 |
68.3 |
C12-Diglyceride |
13.3 |
59.5 |
27.2 |
C12-Triglyceride |
0.8 |
8.2 |
4.5 |
Impurities of the samples were excluded to give the ratio of glycerides.
The investigated test solutions were not clear but hazy due to dispersed material, which could not be removed by centrifugation or filtration. Due to this fact it is not possible to determine the water solubility of the test item according the OECD Guideline 105.
The water solubility determination took place at 20 °C.
No information is given on pH.
No information is given on pH.
Quantitative determination of the analyte:
Flow rate [mL/h] |
Fraction No. |
Volume of combined fractions [mL] |
IS [µg/L] |
Solubility of test item [µg/L] |
12.5 |
1 (1-2) |
20 |
105.2 |
1.63 |
|
2 (3-4) |
20 |
105.2 |
1.42 |
|
3 (5-6) |
20 |
105.2 |
1.32 |
|
4 (7-8) |
20 |
105.2 |
1.20 |
|
5 (9-10) |
20 |
105.2 |
0.86 |
|
6 (11-12) |
20 |
105.2 |
0.73 |
|
7 (13-14) |
20 |
105.2 |
0.67 |
|
8 (15-16) |
20 |
105.2 |
0.69 |
|
|
|
|
|
6.25 |
1 (1-2) |
20 |
105.2 |
n.d. |
|
2 (3-4) |
20 |
105.2 |
n.d. |
|
3 (5-6) |
20 |
105.2 |
n.d. |
|
4 (7-8) |
20 |
105.2 |
0.32 |
|
5 (9-10) |
20 |
105.2 |
0.43 |
|
6 (11-12) |
20 |
105.2 |
0.47 |
|
7 (13-14) |
20 |
105.2 |
n.d. |
|
8 (15-16) |
20 |
105.2 |
n.d. |
Determination of the water solubility of the test item at flow rates of 12.5 mL/h and 6.25 mL/h yielded values in range of 0.67 µg/L to 1.63 µg/L. At a flow rate 6.25 mL/h the indicated values are below the lowest calibration level. In contradiction to the OECD 105 the concentrations differ by more than ±30 %. This is, however, due to the low solubility of the test item. Therefore, a larger difference has to be regarded acceptable.
Dynasan 114 has water solubility ranges from <0.5 µg/L – 1.63 µg/L.
Description of key information
Due to the properties of the substance the water solubility could not be determined in a reliable study using the column elution method, OECD 105.
Values of < 1.63E-03 mg/L and < 6.0 mg/L at 20 °C were determined by read-across from similar substances (determined from the critical micelle concentration (CMC) or according to OECD 105.
Key value for chemical safety assessment
Additional information
The water solubility of this substance was deduced from the measurement of similar substances.
2,3-dihydroxypropyl laurate (CAS 142-18-7) is a mono-constituent, C12, monoester. The water solubility was determined to be 6.0 mg/L at 20 °C.
Glycerol tristearate (CAS 555-45-3) is a mono-constituent, C14, triester. The water solubility was determined to be < 1.63E-03 mg/L at 20 °C.
The target substance is a UVCB, C12, mono, di and triester.
For analogue substances with the same structural backbone water solubility is a property where increasing chain length leads to decreasing solubility. Therefore, the water solubility for the target substance can be deduced to be > 1.63E-03 mg/L at 20 °C and < 6.0 mg/L at 20 °C.
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