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EC number: 689-986-7 | CAS number: 1742-79-6
- 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
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 15 May 2013 to 17 March 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Conducted according to current test guidelines and GLP compliant
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
- Type of method:
- other: stability testing
Test material
- Reference substance name:
- 2-oxo-1,2-dihydropyridin-1-yl acetate
- EC Number:
- 689-986-7
- Cas Number:
- 1742-79-6
- Molecular formula:
- C7H7NO3
- IUPAC Name:
- 2-oxo-1,2-dihydropyridin-1-yl acetate
- Reference substance name:
- 1742-78-6
- IUPAC Name:
- 1742-78-6
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- Name: Oxypyrion acetate
CAS Number: 1742-78-6
Batch number: 14058400
Purity: 97.83%
Date of arrival: 22 April 2013
Expiry date: 30 November 2013
Storage conditions: Refrigerated (2 to 8°C)
Constituent 1
Constituent 2
Results and discussion
Water solubility
- Remarks on result:
- not determinable
- Remarks:
- the test substance was shown to be unstable at pH 4, 7 and 9
- Details on results:
- Analytical Procedures in Water for Water Solubility:
Previous work suggested that the test substance was unstable in aqueous solution.
Stability Test in Double-Distilled Water:
A preliminary test was carried out to show the stability of the Oxypyrion acetate in aqueous solution.
Over the 340-minute test period, the size of the chromatographic peak for the Oxypyrion acetate reduced in size and other peaks in the chromatogram increased in size.
The Oxypyrion acetate peak went from 99,36% of the total peak area of all peaks in the chromatogram to 29,44% of the total peak area, which equated to a drop of 69,9%. This drop in percent total peak area, along with the increase in area of other chromatographic peaks, suggests that the Oxypyrion acetate is unstable in aqueous solution.
The actual peak area dropped from 4369007 to 449518, which was a change of 89,7%.
Stability Test in Aqueous pH Buffer Solutions:
The REACH guidelines EC 1907/2006, Annex VII, state for water solubility that ‘study does not need to be conducted if the substance is hydrolytically unstable at pH 4, 7 and 9 (half-life less than 12 hours)’.
To further confirm that this was the situation for the Oxypyrion acetate, testing was carried out to show stability in pH 4, 7 and 9 aqueous buffer solutions.
For the pH 4 buffer, the peak area dropped from 289787 to 31221 over the 350 minute test period, which was a change of 89,2%. The peak area had dropped below 50% of the original peak area at the 75-minute analysis period.
For the pH 7 buffer, the peak area dropped from 238448 to 25493 over the 350 minute test period, which was a change of 89,3%. The peak area had dropped below 50% of the original peak area at the 140-minute analysis period.
For the pH 9 buffer, the peak area dropped from 207888 to 35375 over the 350 minute test period, which was a change of 83,0%. The peak area had dropped below 50% of the original peak area at the 230-minute analysis period.
Method validation:
As the test substance was shown to be unstable at pH 4, 7 and 9 no further work was required on the water solubility and this meant that an analytical method was not required. Therefore, no method validation was performed.
Water Solubility:
Due to the fact that the test substance was unstable in aqueous solution (half-life was less than 12 hours at pH 4, 7 and 9), it was considered that the determination of water solubility was impractical.
Any other information on results incl. tables
Stability Data in Double-Distilled Water
Test Sample |
Time Prepared |
Time elapsed from stock preparation (minutes) |
Peak area of Oxypyrion acetate peak (µV*sec) |
Proportion of total peak area of all peaks in chromatogram (%) |
T0 |
09:20 |
0 |
4369007 |
99,36 |
T1 |
10:25 |
65 |
2805347 |
94,47 |
T2 |
11:30 |
130 |
1820119 |
77,43 |
T3 |
13:00 |
220 |
970282 |
59,28 |
T4 |
14:00 |
280 |
652692 |
40,74 |
T5 |
15:00 |
340 |
449518 |
29,44 |
Stability Data in pH 4 Buffer
Test Sample |
Time Prepared |
Time elapsed from stock preparation (minutes) |
Peak area of Oxypyrion acetate peak (µV*sec) |
Proportion of total peak area of all peaks in chromatogram (%) |
T0 |
09:10 |
0 |
289787 |
96,82 |
T1 |
10:25 |
75 |
132847 |
86,41 |
T2 |
11:30 |
140 |
104560 |
76,28 |
T3 |
13:00 |
230 |
77032 |
60,05 |
T4 |
14:00 |
290 |
55433 |
49,63 |
T5 |
15:00 |
350 |
31221 |
38,75 |
Stability Data in pH 7 Buffer
Test Sample |
Time Prepared |
Time elapsed from stock preparation (minutes) |
Peak area of Oxypyrion acetate peak (µV*sec) |
Proportion of total peak area of all peaks in chromatogram (%) |
T0 |
09:10 |
0 |
238448 |
96,83 |
T1 |
10:25 |
75 |
159013 |
85,37 |
T2 |
11:30 |
140 |
117579 |
77,27 |
T3 |
13:00 |
230 |
73972 |
58,69 |
T4 |
14:00 |
290 |
42897 |
46,16 |
T5 |
15:00 |
350 |
25493 |
34,06 |
Stability Data in pH 9 Buffer
Test Sample |
Time Prepared |
Time elapsed from stock preparation (minutes) |
Peak area of Oxypyrion acetate peak (µV*sec) |
Proportion of total peak area of all peaks in chromatogram (%) |
T0 |
09:10 |
0 |
207888 |
96,23 |
T1 |
10:25 |
75 |
118020 |
84,85 |
T2 |
11:30 |
140 |
110157 |
74,96 |
T3 |
13:00 |
230 |
40276 |
59,21 |
T4 |
14:00 |
290 |
47229 |
49,28 |
T5 |
15:00 |
350 |
35375 |
39,41 |
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): other:
Due to the fact that Oxypyrionacetate was unstable in aqueous solution (half-life was less than 12 hours at pH 4, 7 and 9), it was considered that the determination of water solubility was impractical.
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