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EC number: 204-120-6 | CAS number: 115-99-1
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 15 May 2014 - 24 July 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: A modern GLP study conducted according the appropriate guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- Linalyl formate
- EC Number:
- 204-120-6
- EC Name:
- Linalyl formate
- Cas Number:
- 115-99-1
- Molecular formula:
- C11H18O2
- IUPAC Name:
- linalyl formate
- Reference substance name:
- Linalyl acetate
- EC Number:
- 204-116-4
- EC Name:
- Linalyl acetate
- Cas Number:
- 115-95-7
- Molecular formula:
- C12H20O2
- IUPAC Name:
- 1,5-dimethyl-1-vinylhex-4-en-1-yl acetate
- Reference substance name:
- Linalool
- EC Number:
- 201-134-4
- EC Name:
- Linalool
- Cas Number:
- 78-70-6
- Molecular formula:
- C10H18O
- IUPAC Name:
- 3,7-dimethylocta-1,6-dien-3-ol
- Test material form:
- liquid
- Details on test material:
- - Name of test material (as cited in study report):Linalyl formate
- Molecular formula: C11H18O2
- Molecular weight: 182.3 g/mol
- Physical state: clear colorless liquid
Constituent 1
impurity 1
impurity 2
Results and discussion
Water solubility
- Water solubility:
- > 0.017 - < 0.035 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: The test item significantly degraded/hydrolyzed in water with increased initial saturation/exposure period leading to accumulation of hydrolysis/degradation products and a decrease in the contribution of the parent to the total sample response.
- Details on results:
- Water Solubility was in the range 1.45 x 10-4 to 1.10 x 10-2 g/L of solution for the parent test item at 20.0 ± 0.5 ºC , using a flask method with standardized saturation and re-equilibration times. However, the test item was identified to significantly degrade/hydrolyze in the presence of water, with an increased initial saturation/exposure period leading to an accumulation of hydrolysis/degradation products and a decrease in the contribution of the parent test item to the total sample response on analysis.
A short-term evaluation of water solubility using reduced saturation time periods of 1 to 3 hours and a re-equilibration period of only 1 hour resulted in an increased parent test item concentration in solution, in the range 1.66 x 10-2 to 3.49 x 10-2 g/L at 20.0 ± 0.5 ºC. However again, an accumulation of hydrolysis/degradation products was evident, with the parent test item not being the dominant species in solution even in the sample solution with the shortest contact time with water.
Due to the hydrolysis of this test item in water, the short-term evaluation result of 1.66 x 10-2 to 3.49 x 10-2 g/L of solution at 20.0 ± 0.5 ºC was considered to most appropriately describe the water solubility of the parent test item.
Any other information on results incl. tables
No further data
Applicant's summary and conclusion
- Conclusions:
- The water solubility of Linalyl formate was in the range 1.45 x 10-4 to 1.10 x 10-2 g/L of solution for the parent test item at 20.0 ± 0.5 ºC using standardized saturation and re-equilibration times. However, due to the hydrolysis of this test item in water, the short-term evaluation using reduced saturation time periods of 1 to 3 hours and a re-equilibration period of only 1 hour was considered to most appropriately describe the water solubility of the parent test item. The results was result of 1.66 x 10-2 to 3.49 x 10-2 g/L of solution at 20.0 ± 0.5 ºC.
- Executive summary:
The water solubility of Linalyl formate was measured according to OECD Guideline No. 105 (flask method).
The water solubility of Linalyl formate was in the range 1.45 x 10-4 to 1.10 x 10-2 g/L of solution for the parent test item at 20.0 ± 0.5 ºC using standardized saturation and re-equilibration times. However, due to the hydrolysis of this test item in water, the short-term evaluation using reduced saturation time periods of 1 to 3 hours and a re-equilibration period of only 1 hour was considered to most appropriately describe the water solubility of the parent test item. The results was result of 1.66 x 10-2 to 3.49 x 10-2 g/L of solution at 20.0 ± 0.5 ºC .
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