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EC number: 643-080-8 | CAS number: 24389-25-1
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 2004
- GLP compliance:
- no
- Remarks:
- Although this study is non-GLP, the laboratory used is proficient and is capable of performing studies in compliance with GLP. This study was conducted for the purposes of other regulatory jurisdications where GLP is not a mandatory requirement.
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- Test was conducted until 6 points were taken between 10% and 90% hydrolysis of the test substance or for 30 days. At sampling dates, 0.6mL was sampled from test solution and filtered by Millex-LG (0.2um, Merck).
Filtrates were analysed by IC. The samples were immediately analysed after sampling.
Details of sampling intervals are presented in table 1 below. - Buffers:
- pH 4.0: Mixture of 4.0mL of 0.1N NaOH and 500mL of 0.1M Potassium hydrogen phthalate was diluted to 1000 mL with ultra-pure water.
pH 7.0: Mixture of 296mL of 0.1N NaOH and 500 mL of 0.1 M KH2PO4 was diluted to 1000 mL with ultra-pure water
pH 9.0: Mixture of 213 mL of 0.1N NaOH and 500 mL of 0.1M KCl/0.1M H3BO3 was diluted to 100 mL with ultra-pure water - Details on test conditions:
- Temperature: 3 temperatures (15, 40 and 50°C)
Duration: Test was conducted until 6 points were taken between 10 and 90% hydrolysis of the test substance or for 30 days.
Test conducted in dark conditions
Concentration 100 mg/L
Procedure:
The test substance was weighed (30 mg) and dissolved in 300 mL of buffer solutions (pH 4, 7 and 9). Vessels were duplicated and the initial pH (measured values) were 4, 7 and 8.9. The solutions were stirred in an incubator at 15°C, or shaken in the thermostatic water bath at 40 and 50°C. - Duration:
- 30 d
- pH:
- 4
- Temp.:
- 15 °C
- Duration:
- 30 d
- pH:
- 4
- Temp.:
- 40 °C
- Duration:
- 30 d
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 30 d
- pH:
- 7
- Temp.:
- 15 °C
- Duration:
- 16 d
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- 10 d
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 16 d
- pH:
- 9
- Temp.:
- 15 °C
- Duration:
- 1 d
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 0 d
- pH:
- 9
- Temp.:
- 50 °C
- Number of replicates:
- 2
- Positive controls:
- not specified
- Negative controls:
- not specified
- Preliminary study:
- Hydrolysis of the test substance was seen in the preliminary study at greater than 10% therefore full study (Tier 2 and Tier 3) required
- Test performance:
- Tier 2: calculation of rate of hydroysis and half-lifes
Tier 3: identification of transformation (hydrolysis) products - Transformation products:
- yes
- No.:
- #1
- No.:
- #2
- No.:
- #3
- Details on hydrolysis and appearance of transformation product(s):
- The final measurement of each test (7th measurement), the hydrolysis products were quantitatively measured (see tables 2 - 6)
- % Recovery:
- >= 91 - <= 95
- pH:
- 4
- Temp.:
- 15 °C
- Duration:
- >= 719.8 - <= 721.8 h
- % Recovery:
- ca. 83
- pH:
- 7
- Temp.:
- 15 °C
- Duration:
- ca. 714 h
- % Recovery:
- ca. 45
- pH:
- 9
- Temp.:
- 15 °C
- Duration:
- ca. 377.1 h
- % Recovery:
- >= 79 - <= 81
- pH:
- 4
- Temp.:
- 40 °C
- Duration:
- ca. 719.7 h
- % Recovery:
- ca. 46
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- ca. 377.7 h
- % Recovery:
- ca. 40
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- >= 28.7 - <= 28.8 h
- % Recovery:
- >= 66 - <= 67
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- >= 719.7 - <= 719.8 h
- % Recovery:
- ca. 32
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 232.8 h
- % Recovery:
- ca. 36
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 11.7 d
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 h-1
- DT50:
- 206 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Calculated
- Remarks:
- Extrapolated from results
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.001 h-1
- DT50:
- 47 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Calculated
- Remarks:
- Extrapolated from results
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.007 h-1
- DT50:
- 4.2 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Calculated
- Remarks:
- Extrapolated from results
- pH:
- 4
- Temp.:
- 15 °C
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- not determinable
- Remarks:
- Substance was hydrolytically stable at temperature and pH
- pH:
- 7
- Temp.:
- 15 °C
- Hydrolysis rate constant:
- 0 h-1
- DT50:
- 114 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 15 °C
- Hydrolysis rate constant:
- 0.002 h-1
- DT50:
- 13 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- 0 h-1
- DT50:
- 84 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- 0.002 h-1
- DT50:
- 14 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- 0.032 h-1
- DT50:
- 0.9 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.001 h-1
- DT50:
- 47 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.004 h-1
- DT50:
- 6.6 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.084 h-1
- DT50:
- 0.3 d
- Type:
- (pseudo-)first order (= half-life)
- Other kinetic parameters:
- Single first-order rate constant calculated, values between 10 and 90% hydrolysis of the test substance were used.
- Details on results:
- See tables in "Any other information on results " below. Li ions were not monitored in this experiment.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The test substance is considered hydrolytically unstable at pH 4.0, 7.0 and 9.0 under the conditions of the test. The test substance hydrolyses more readily in alkaline conditions than under acidic conditions.
Reference
Results for Transformation products:
Table 2: Detected rate of F ion
|
|
A |
B |
C |
D |
E |
|
Temp (°C) |
Sample Description |
Peak area of processed sample μS.min |
Peak area of standard solution μS.min |
Measured concentration of F mg/L |
Theoretical value of F mg/L |
Ratio to theoretical value % |
Ratio to theoretical value % |
15 |
pH4.0-1 |
0.416 |
7.320 |
2.0 |
17.6 |
11 |
12 |
pH4.0-2 |
0.456 |
7.320 |
2.2 |
17.6 |
13 |
||
40 |
pH4.0-1 |
0.907 |
7.320 |
4.5 |
17.6 |
26 |
27 |
pH4.0-2 |
0.950 |
7.320 |
4.7 |
17.6 |
27 |
||
50 |
pH4.0-1 |
1.305 |
7.320 |
6.4 |
17.6 |
36 |
38 |
pH4.0-2 |
1.434 |
7.320 |
7.1 |
17.6 |
40 |
||
15 |
pH7.0-1 |
0.579 |
7.320 |
2.8 |
17.6 |
16 |
17 |
pH7.0-2 |
0.659 |
7.320 |
3.2 |
17.6 |
18 |
||
40 |
pH7.0-1 |
2.107 |
7.156 |
10.6 |
17.6 |
60 |
61 |
pH7.0-2 |
2.150 |
7.156 |
10.8 |
17.6 |
61 |
||
50 |
pH7.0-1 |
2.749 |
7.302 |
13.6 |
17.6 |
77 |
76 |
pH7.0-2 |
2.663 |
7.302 |
13.1 |
17.6 |
74 |
||
15 |
pH9.0-1 |
2.490 |
7.156 |
12.5 |
17.6 |
71 |
69 |
pH9.0-2 |
2.320 |
7.156 |
11.7 |
17.6 |
66 |
||
40 |
pH9.0-1 |
2.119 |
7.397 |
10.3 |
17.6 |
59 |
59 |
pH9.0-2 |
2.110 |
7.397 |
10.3 |
17.6 |
59 |
||
50 |
pH9.0-1 |
2.330 |
7.397 |
11.3 |
17.6 |
64 |
65 |
pH9.0-2 |
2.336 |
7.397 |
11.4 |
17.6 |
65 |
Concentration of standard solution |
F |
36.0 mg/L |
Concentration of the test substance in test solution |
G |
100 mg/L |
Molecular weight of F |
H |
19.00 |
Molecular ratio of F |
I |
1 |
Molecular weight of the test substance |
J |
107.91 |
Equations:
C=A÷B×F
D=G×H×I÷J
E=B÷D×100
Table 3: Detected rate of PO3F ion
|
|
A |
B |
C |
D |
E |
|
||||||||
Temp (°C) |
Sample Description |
Peak area of processed sample μS.min |
Peak area of standard solution μS.min |
Measured concentration of PO3F mg/L |
Theoretical value of PO3F mg/L |
Ratio to theoretical value % |
Ratio to theoretical value % |
||||||||
15 |
pH4.0-1 |
0.075 |
4.123 |
1.6 |
90.8 |
2 |
2 |
||||||||
pH4.0-2 |
0.089 |
4.123 |
1.9 |
90.8 |
2 |
||||||||||
40 |
pH4.0-1 |
0.515 |
4.123 |
11.2 |
90.8 |
12 |
13 |
||||||||
pH4.0-2 |
0.543 |
4.123 |
11.9 |
90.8 |
13 |
||||||||||
50 |
pH4.0-1 |
1.161 |
4.123 |
25.3 |
90.8 |
28 |
28 |
||||||||
pH4.0-2 |
1.116 |
4.123 |
24.4 |
90.8 |
27 |
||||||||||
15 |
pH7.0-1 |
* |
* |
* |
* |
* |
* |
||||||||
pH7.0-2 |
* |
* |
* |
* |
* |
||||||||||
40 |
pH7.0-1 |
* |
* |
* |
* |
* |
* |
||||||||
pH7.0-2 |
* |
* |
* |
* |
* |
||||||||||
50 |
pH7.0-1 |
* |
* |
* |
* |
* |
* |
||||||||
pH7.0-2 |
* |
* |
* |
* |
* |
||||||||||
15 |
pH9.0-1 |
2.208 |
4.275 |
43.8 |
90.8 |
48 |
50 |
||||||||
pH9.0-2 |
2.221 |
4.275 |
46.8 |
90.8 |
52 |
||||||||||
40 |
pH9.0-1 |
2.473 |
4.555 |
48.9 |
90.8 |
54 |
55 |
||||||||
pH9.0-2 |
2.516 |
4.555 |
49.7 |
90.8 |
55 |
||||||||||
50 |
pH9.0-1 |
2.795 |
4.555 |
55.2 |
90.8 |
61 |
61 |
||||||||
pH9.0-2 |
2.789 |
4.555 |
55.1 |
90.8 |
61 |
*: PO3F ion could not be measured due to the influence of buffer solution
Concentration of standard solution |
F |
90.0 mg/L |
|||
Concentration of the test substance in test solution |
G |
100 mg/L |
|||
Molecular weight of PO3F |
H |
97.97 |
|||
Molecular ratio of PO3F |
I |
1 |
|||
Molecular weight of the test substance |
J |
107.91 |
Equations:
C=A÷B×F
D=G×H×I÷J
E=B÷D×100
Table 3: Detected rate of PO4 ion
|
|
A |
B |
C |
D |
E |
|
||||||||
Temp (°C) |
Sample Description |
Peak area of processed sample μS.min |
Peak area of standard solution μS.min |
Measured concentration of PO3F mg/L |
Theoretical value of PO3F mg/L |
Ratio to theoretical value % |
Ratio to theoretical value % |
||||||||
15 |
pH4.0-1 |
0.162 |
4.038 |
3.5 |
88.0 |
4 |
4 |
||||||||
pH4.0-2 |
0.116 |
4.038 |
2.5 |
88.0 |
3 |
||||||||||
40 |
pH4.0-1 |
0.105 |
4.038 |
2.3 |
88.0 |
3 |
3 |
||||||||
pH4.0-2 |
0.112 |
4.038 |
2.4 |
88.0 |
3 |
||||||||||
50 |
pH4.0-1 |
0.061 |
4.038 |
1.3 |
88.0 |
1 |
2 |
||||||||
pH4.0-2 |
0.096 |
4.038 |
2.1 |
88.0 |
2 |
||||||||||
15 |
pH7.0-1 |
* |
* |
* |
* |
* |
* |
||||||||
pH7.0-2 |
* |
* |
* |
* |
* |
||||||||||
40 |
pH7.0-1 |
* |
* |
* |
* |
* |
* |
||||||||
pH7.0-2 |
* |
* |
* |
* |
* |
||||||||||
50 |
pH7.0-1 |
* |
* |
* |
* |
* |
* |
||||||||
pH7.0-2 |
* |
* |
* |
* |
* |
||||||||||
15 |
pH9.0-1 |
0.120 |
3.803 |
2.8 |
88.0 |
3 |
3 |
||||||||
pH9.0-2 |
0.071 |
3.803 |
1.6 |
88.0 |
2 |
||||||||||
40 |
pH9.0-1 |
<0.02 |
4.044 |
<0.5 |
88.0 |
<1 |
<1 |
||||||||
pH9.0-2 |
<0.02 |
4.044 |
<0.5 |
88.0 |
<1 |
||||||||||
50 |
pH9.0-1 |
<0.02 |
4.044 |
<0.5 |
88.0 |
<1 |
<1 |
||||||||
pH9.0-2 |
<0.02 |
4.044 |
<0.5 |
88.0 |
<1 |
*: PO4 ion could not be measured due to the influence of buffer solution
Concentration of standard solution |
F |
88.0 |
|||
Concentration of the test substance in test solution |
G |
100 mg/L |
|||
Molecular weight of PO4 |
H |
94.97 |
|||
Molecular ratio of PO4 |
I |
1 |
|||
Molecular weight of the test substance |
J |
107.91 |
Equations:
C=A÷B×F
D=G×H×I÷J
E=B÷D×100
Table 4: Mass balance
|
|
A |
B |
C |
D |
|
|
||||||||
Temp (°C) |
Sample Description |
Residual rate to 0 hour % |
Ratio to theoretical value F % |
Ratio to theoretical value PO3F % |
Ratio to theoretical value PO4 % |
Total A+B % |
Total A+B+D % |
||||||||
15 |
pH4.0-1 |
91 |
11 |
2 |
4 |
102 |
97 |
||||||||
pH4.0-2 |
95 |
13 |
2 |
3 |
108 |
100 |
|||||||||
40 |
pH4.0-1 |
79 |
26 |
12 |
3 |
105 |
94 |
||||||||
pH4.0-2 |
81 |
27 |
13 |
3 |
108 |
97 |
|||||||||
50 |
pH4.0-1 |
66 |
36 |
28 |
1 |
102 |
95 |
||||||||
pH4.0-2 |
67 |
40 |
27 |
2 |
107 |
96 |
|||||||||
15 |
pH7.0-1 |
83 |
16 |
* |
* |
99 |
NA |
||||||||
pH7.0-2 |
83 |
18 |
* |
* |
101 |
NA |
|||||||||
40 |
pH7.0-1 |
46 |
60 |
* |
* |
106 |
NA |
||||||||
pH7.0-2 |
46 |
61 |
* |
* |
107 |
NA |
|||||||||
50 |
pH7.0-1 |
32 |
77 |
* |
* |
109 |
NA |
||||||||
pH7.0-2 |
32 |
74 |
* |
* |
106 |
NA |
|||||||||
15 |
pH9.0-1 |
45 |
71 |
48 |
3 |
116 |
96 |
||||||||
pH9.0-2 |
45 |
66 |
52 |
2 |
111 |
99 |
|||||||||
40 |
pH9.0-1 |
40 |
59 |
54 |
<1 |
99 |
94 |
||||||||
pH9.0-2 |
40 |
59 |
55 |
<1 |
99 |
95 |
|||||||||
50 |
pH9.0-1 |
36 |
64 |
61 |
<1 |
100 |
97 |
||||||||
pH9.0-2 |
36 |
65 |
61 |
<1 |
101 |
97 |
*: PO3F ion and PO4 ion could not be measured due to the influence of buffer solution
Description of key information
In an OECD guideline study, the test substance is considered hydrolytically unstable at pH 4.0, 7.0 and 9.0 under the conditions of the test. Hydrolysis half-lifes were calculated for the test substance at an environmentally relevant temperature (25°C) at pH 4.0, 7.0 and 9.0. The test substance hydrolyses more readily in alkaline conditions than under acidic conditions. The half-life value used for the chemical safety assessment was pH 7.0 at 25°C.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 47 d
- at the temperature of:
- 25 °C
Additional information
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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