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EC number: 285-203-4 | CAS number: 85049-34-9
- 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:
- key study
- Study period:
- 31 Oct 2014 - 13 Jan 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- GLP Guideline study with acceptable restrictions (limit of quantification very high resulting from the chosen analytical method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- The Department of Health of the Government of the United Kingdom
- Type of method:
- flask method
- Key result
- Water solubility:
- < 10 mg/L
- Temp.:
- 20 °C
- pH:
- 6.95
- Conclusions:
- The water solubility of the test substance was determined to be < 10 mg/L at 20 °C.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 8- 18 Feb 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- column elution method
- Key result
- Water solubility:
- < 0.15 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 6.4 - <= 6.7
- Remarks on result:
- other: pH of HPLC water: 7.4
- Details on results:
- The water solubility of the read across substance (CAS 84988-75-0) was determined to be < 0.15 mg/L at 20 °C
- Conclusions:
- The water solubility of the read across substance (CAS 84988-75-0) was determined to be < 0.15 mg/L at 20 °C
- Endpoint:
- water solubility
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 8- 18 Feb 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Please refer section 13 for read across justification.
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- column elution method
- Key result
- Water solubility:
- < 0.15 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 6.4 - <= 6.7
- Remarks on result:
- other: pH of HPLC water: 7.4
- Details on results:
- The water solubility of the read across substance (CAS 84988-75-0) was determined to be < 0.15 mg/L at 20 °C
- Conclusions:
- The water solubility of the read across substance (CAS 84988-75-0) was determined to be < 0.15 mg/L at 20 °C
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 26 Jan - 13 Feb 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Guideline study, tested with the source substance Decanoic acid, mixed diesters with octanoic acid and propylene glycol (CAS No. 68583-51-7). According to the ECHA guidance document “Practical guide 6: How to report read-across and categories (Dec 2012)”, the reliability was changed from RL1 to RL2 to reflect the fact that this study was conducted on a read-across substance.
- Justification for type of information:
- Please refer section 13 for read across justification.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- no
- Type of method:
- column elution method
- Key result
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 5.6 - <= 7.4
- Conclusions:
- The water solubility of the test substance (CAS 68583-51-7) was determined to be < 0.5 mg/L at 20 °C.
- Endpoint:
- water solubility
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Study period:
- 26 Jan - 13 Feb 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Guideline study, tested with the source substance Decanoic acid, mixed diesters with octanoic acid and propylene glycol (CAS No. 68583-51-7). According to the ECHA guidance document “Practical guide 6: How to report read-across and categories (Dec 2012)”, the reliability was changed from RL1 to RL2 to reflect the fact that this study was conducted on a read-across substance.
- Justification for type of information:
- Please refer section 13 for read across justification.
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- no
- Type of method:
- column elution method
- Key result
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 5.6 - <= 7.4
- Conclusions:
- The water solubility of the test substance (CAS 68583-51-7) was determined to be < 0.5 mg/L at 20 °C.
Referenceopen allclose all
Calibration data:
Concentration (g/L) |
Absorbance 1 |
Absorbance 2 |
Mean Absorbance |
0.0186 |
0.042 |
0.042 |
0.042 |
0.0371 |
0.063 |
0.062 |
0.063 |
0.0743 |
0.103 |
0.103 |
0.103 |
0.0929 |
0.127 |
0.130 |
0.129 |
0.1857 |
0.224 |
0.224 |
0.224 |
0.3714 |
0.442 |
0.442 |
0.442 |
0.7428 |
0.854 |
0.853 |
0.854 |
0.9285 |
1.062 |
1.062 |
1.062 |
m = 1.1216; C = 0.0210; r² = 0.9999
Comment:
100 mg of test substance was transferred to a 100 mL flask and 100 mL water added (conc 1 g/L). The sample was shaken by hand to give an opaque milky white solution. A second sample was prepared by transferring 10 mg of test substance to a 100 mL flask and adding 100 mL water (conc 0.1 g/L). The sample was shaken by hand to give a semi-transparent solution.
22/10/2014
The shake flask method of determining water solubility was used. 1000 µL of test substance was transferred to a 100 mL flask and 100 mL water added (conc 10 g/L). The sample was mechanically shaken at 30 °C for 72 hours.
23/10/2014
1000 µL of test substance was transferred to a 100 mL flask and 100 mL water added (conc 10 g/L). The sample was mechanically shaken at 30 °C for 48 hours.
24/10/2014
1000 µL of test substance was transferred to a 100 mL flask and 100 mL water added (conc 10 g/L). The sample was mechanically shaken at 30 °C for 24 hours.
25/10/2014
Samples stopped shaking at 16:00 hrs and were allowed to cool to room temperature.
27/10/2014
All three samples remained as a milky white suspension 40 hours after shaking finished.
28/10/2014
100 mL of water (in each of three flasks labelled D1; D2 & D3) was saturated with 1 mg of test material (in each flask). The flasks were subjected to slow shaking (100 rpm) for 24, 48 and 72 hours respectively, then allowed to equilibrate for 48 hours. The supernatant from each flask was analysed but no detection within the linear range of the calibration was obtained. Because there was excess of sample on the surface of all three solutions, the solubility of the test substance has therefore been reported as <10 mg/L.
|
Sample |
Sampling time |
pH |
Concentration (mg/Ll |
Run 1: Flow rate 25 mL/h |
1 |
25 |
6.8 |
< 0.15 |
2 |
50 |
6.7 |
< 0.15 |
|
3 |
75 |
6.7 |
< 0.15 |
|
4 |
100 |
6.6 |
< 0.15 |
|
5 |
125 |
6.7 |
< 0.15 |
|
6 |
150 |
6.6 |
< 0.15 |
|
7 |
175 |
6.7 |
< 0.15 |
|
8 |
200 |
6.7 |
< 0.15 |
|
Run 2: Flow rate 125 mL/h |
1 |
25 |
6.4 |
< 0.15 |
|
2 |
50 |
6.5 |
< 0.15 |
|
3 |
75 |
6.5 |
< 0.15 |
|
4 |
100 |
6.5 |
< 0.15 |
|
5 |
125 |
6.5 |
< 0.15 |
|
6 |
150 |
6.5 |
< 0.15 |
|
7 |
175 |
6.4 |
< 0.15 |
|
8 |
200 |
6.6 |
< 0.15 |
Mean of all concentration values: |
< 0.15 |
|
Sample |
Sampling time |
pH |
Concentration (mg/Ll |
Run 1: Flow rate 25 mL/h |
1 |
25 |
6.8 |
< 0.15 |
2 |
50 |
6.7 |
< 0.15 |
|
3 |
75 |
6.7 |
< 0.15 |
|
4 |
100 |
6.6 |
< 0.15 |
|
5 |
125 |
6.7 |
< 0.15 |
|
6 |
150 |
6.6 |
< 0.15 |
|
7 |
175 |
6.7 |
< 0.15 |
|
8 |
200 |
6.7 |
< 0.15 |
|
Run 2: Flow rate 125 mL/h |
1 |
25 |
6.4 |
< 0.15 |
|
2 |
50 |
6.5 |
< 0.15 |
|
3 |
75 |
6.5 |
< 0.15 |
|
4 |
100 |
6.5 |
< 0.15 |
|
5 |
125 |
6.5 |
< 0.15 |
|
6 |
150 |
6.5 |
< 0.15 |
|
7 |
175 |
6.4 |
< 0.15 |
|
8 |
200 |
6.6 |
< 0.15 |
Mean of all concentration values: |
< 0.15 |
|
Sample |
Sampling time [mL] |
pH |
Concentration [mg/L] |
Run 1: Flow rate 25 mL/h |
1 |
25 |
6.7 |
< 0.05 |
2 |
50 |
6.6 |
< 0.05 |
|
3 |
75 |
6.7 |
< 0.05 |
|
4 |
100 |
6.6 |
< 0.05 |
|
5 |
125 |
6.6 |
< 0.05 |
|
6 |
150 |
6.6 |
< 0.05 |
|
7 |
175 |
6.6 |
< 0.05 |
|
8 |
200 |
6.6 |
< 0.05 |
|
Run 2: Flow rate 12.5 mL/h |
1 |
25 |
7.4 |
< 0.05 |
|
2 |
50 |
6.3 |
< 0.05 |
|
3 |
75 |
5.6 |
< 0.05 |
|
4 |
100 |
5.6 |
< 0.05 |
|
5 |
125 |
5.5 |
< 0.05 |
|
6 |
150 |
5.8 |
< 0.05 |
|
7 |
175 |
5.7 |
< 0.05 |
|
8 |
200 |
5.7 |
< 0.05 |
Mean of all concentration values: |
< 0.05 |
The calibration curve fits over the whole working range from 0.05 – 4.5 mg/L with r²=1.000 (linear fit).
In course of the recovery experiment, an average recovery rate of 116% was determined.
|
Sample |
Sampling time [mL] |
pH |
Concentration [mg/L] |
Run 1: Flow rate 25 mL/h |
1 |
25 |
6.7 |
< 0.05 |
2 |
50 |
6.6 |
< 0.05 |
|
3 |
75 |
6.7 |
< 0.05 |
|
4 |
100 |
6.6 |
< 0.05 |
|
5 |
125 |
6.6 |
< 0.05 |
|
6 |
150 |
6.6 |
< 0.05 |
|
7 |
175 |
6.6 |
< 0.05 |
|
8 |
200 |
6.6 |
< 0.05 |
|
Run 2: Flow rate 12.5 mL/h |
1 |
25 |
7.4 |
< 0.05 |
|
2 |
50 |
6.3 |
< 0.05 |
|
3 |
75 |
5.6 |
< 0.05 |
|
4 |
100 |
5.6 |
< 0.05 |
|
5 |
125 |
5.5 |
< 0.05 |
|
6 |
150 |
5.8 |
< 0.05 |
|
7 |
175 |
5.7 |
< 0.05 |
|
8 |
200 |
5.7 |
< 0.05 |
Mean of all concentration values: |
< 0.05 |
The calibration curve fits over the whole working range from 0.05 – 4.5 mg/L with r²=1.000 (linear fit).
In course of the recovery experiment, an average recovery rate of 116% was determined.
Description of key information
<10 mg/L at 20 °C, pH=6.95 (EU A.6, shake flask)
<1 mg/L (trend analysis)
Key value for chemical safety assessment
Additional information
The water solubility of the test substance was determined according EU method A.6 by using shake flask method.
Due to limitations of the analytical methods the limit value of <10 mg/L was determined.
Therefore another water solubility test with a similar substance (Decanoic acid, mixed diesters with octanoic acid and propylene glycol, CAS 68583 -51 -7) is used to assess water solubility of the test substance.
Water solubility is a property which depends - in a group of structural very similar substances - mainly on overall chain length.
In addition the water solubility of the substance fatty acids, C14 -18 and C16 -18 unsatd., esters with propylene glycol (CAS 84988-75-0) was determined with column elution method according to EU Method A.6.
The water solubility for this read across substance was determined to be < 0.15 mg/L at 20 °C and pH= 6.4 and 6.7.
The water solubility (<0.05 mg/L at 20 °C) determined for one of the component (oleic acic, monoester with propane-1,2 -diol (CAS 1330-80-9)) is supporting.
The read-across substance CAS 68583 -51 -7 has a shorter chain length then the test substance (target) and could therefore be seen as a "worst case". Therefore the solubility of test substance (target) is given as <1 mg/L (trend analysis).
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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