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EC number: 933-779-9 | CAS number: -
- 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:
- supporting study
- Study period:
- 2019-10-09 to 2019-10-15
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- - Test Item Name: Ocimene PQ
- Laboratory Master Schedule No. at FumoPrep Ltd.: 4590
- Chemical Name: Reaction mass of (Z)-3,7-dimethylocta-1,3,6,-triene and dipentene
- Batch/Lot Number: A190618B
- CAS Number: 3338-55-4, 138-86-3
- Appearance: Colourless liquid
- Expiry Date: 30 June 2021
- Purity: 100%
- Storage Condition: Room temperature (15 – 25°C), protected from humidity (tight closed container) and under inert gas - Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- A total of 10 tubes with Test Media (aqueous buffers at pH 4, 7 and 9) were spiked with the Spiking Stock Solution (test item at 4 mg/mL). Five of them were processed immediately to determine the initial concentration of the test item and the other five tubes were incubated at 50°C for 5 days and after the incubation period all the tubes were processed and measured.
Four control tubes were also prepared with Test Media (aqueous buffers at pH 4, 7 and 9) without spiking to check the potential interfering components from the buffer. Two of them were processed immediately to determine the initial concentration of the test item and the other two tubes were incubated at 50°C for 5 days and after the incubation period both control tubes were processed and measured. - Buffers:
- Aqueous buffers at pH 4, 7 and 9 were used as Test Media.
- Details on test conditions:
- Aqueous buffer solutions of different pH values (pH 4, 7 and 9) were treated with the test substance or without (control) and incubated under controlled laboratory conditions. The Test Solutions were kept between 49.8 - 50.1°C. After 5 days, buffer solutions were analysed for the test substance and for hydrolysis.
- Duration:
- 0 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 3.83 mg/L
- Duration:
- 0 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 3.744 mg/L
- Duration:
- 0 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 4.219 mg/L
- Number of replicates:
- Per each pH, two replicates for controls and five replicates for the test item solution were used.
- Positive controls:
- no
- Negative controls:
- yes
- Remarks:
- Test Media without spiking
- Statistical methods:
- To determine the test item concentration in the saturated solutions the following calculations were applied:
1. The corrected peak area and the relative peak area were calculated using the following equations:
Corrected Peak Area = Peak Area - Peak Area_Blank
Relative Peak Area = (Corrected Peak Area)/(Peak Area ISTD)
Where:
Corrected Peak Area is the corrected peak area (mVs)
Peak Area is the measured area value of the test item derivative from the individual injection (mVs)
Peak Area_Blank is the average area of the interfering compound from the corresponding Blank chromatograms (mVs)
Relative Peak Area is the relative peak area
Peak Area ISTD is the measured area value of the internal standard from the individual injection (mVs)
2. The average relative peak area from the parallel injections was calculated using the next formula:
Relative Peak Area_Average = Relative Peak Area_1+Relative Peak Area_2)/2
Where:
Relative Peak Area_Average is the average relative peak area of the individual injections
Relative Peak Area_1,2 are the relative peak area values of repeated injections
3. The concentration of the test solution was calculated using the following equation:
c_TestSol = (Relative Peak Area_Average - Intercept))/Slope ∙ AnDil./Enrich ∙ 1000
Where:
c_TestSol is the test item concentration in the test solution (mg/L)
Intercept is the intercept of the calibration curve
Slope is the slope of the calibration curve
AnDil. is the dilution of the analytical sample after the enrichment
Enrich is the enrichment during the sample preparation
The stability was determined:
Stability%= c_0/c_i ∙100%
Where:
c_0 and c_i are the test item concentrations measured on the initial and the end point of the experiment (mg/L) - Transformation products:
- no
- % Recovery:
- 39.4
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 120 h
- % Recovery:
- 25
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 120 h
- % Recovery:
- 22.1
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 120 h
- Details on results:
- Reported recovery (%) values correspond to Stability (%) values. Ocimene PQ exceeded 10% degradation when stored for 5 days at 50°C and at a pH 4, 7 and 9. Therefore, it is hydrolytically not stable.
- Validity criteria fulfilled:
- yes
- Conclusions:
- Ocimene PQ is hydrolytically not stable at 50 ºC.
- Executive summary:
The potential for hydrolysis of Ocimene PQ was determined according to an OECD 111 guideline study. The Ocimene PQ exceeded 10% degradation when stored for 5 days at 50°C and at a pH 4, 7 and 9. Therefore, it is hydrolytically not stable at 50 ºC.
Reference
Measured initial concentrations
Sample |
cTheroretical(mg/L) |
pH |
cTestSol(mg/L) |
cAverage(mg/L) |
% of cTheor |
RSD (%) |
189-TS-428 |
0.000 |
4 |
<LOQ |
<LOQ |
N/A |
N/A |
189-TS-429 |
0.000 |
4 |
<LOQ |
|||
189-TS-430 |
4.010 |
4 |
3.932 |
3.830 |
95.5 |
7.3 |
189-TS-431 |
4.010 |
4 |
3.808 |
|||
189-TS-432 |
4.010 |
4 |
3.373 |
|||
189-TS-433 |
4.010 |
4 |
4.124 |
|||
189-TS-434 |
4.010 |
4 |
3.912 |
|||
189-TS-728 |
0.000 |
7 |
<LOQ |
<LOQ |
N/A |
N/A |
189-TS-729 |
0.000 |
7 |
<LOQ |
|||
189-TS-730 |
4.010 |
7 |
4.209 |
3.744 |
93.4 |
8.7 |
189-TS-731 |
4.010 |
7 |
3.503 |
|||
189-TS-732 |
4.010 |
7 |
3.928 |
|||
189-TS-733 |
4.010 |
7 |
3.404 |
|||
189-TS-734 |
4.010 |
7 |
3.676 |
|||
189-TS-928 |
0.000 |
9 |
<LOQ |
<LOQ |
N/A |
N/A |
189-TS-928 |
0.000 |
9 |
<LOQ |
|||
189-TS-930 |
4.010 |
9 |
4.590 |
4.219 |
105.2 |
6.6 |
189-TS-931 |
4.010 |
9 |
4.214 |
|||
189-TS-932 |
4.010 |
9 |
4.202 |
|||
189-TS-933 |
4.010 |
9 |
4.279 |
|||
189-TS-934 |
4.010 |
9 |
3.809 |
Measured concentrations after 5 days
Sample |
cTheroretical(mg/L) |
pH |
cTestSol(mg/L) |
cAverage(mg/L) |
% of cTheor |
RSD (%) |
189-TS-428 |
0.000 |
4 |
<LOQ |
<LOQ |
N/A |
N/A |
189-TS-429 |
0.000 |
4 |
<LOQ |
|||
189-TS-430 |
4.010 |
4 |
1.348 |
1.507 |
37.6 |
7.4 |
189-TS-431 |
4.010 |
4 |
1.592 |
|||
189-TS-432 |
4.010 |
4 |
1.591 |
|||
189-TS-433 |
4.010 |
4 |
1.431 |
|||
189-TS-434 |
4.010 |
4 |
1.573 |
|||
189-TS-728 |
0.000 |
7 |
<LOQ |
<LOQ |
N/A |
N/A |
189-TS-729 |
0.000 |
7 |
<LOQ |
|||
189-TS-730 |
4.010 |
7 |
1.215 |
0.938 |
23.4 |
42.0 |
189-TS-731 |
4.010 |
7 |
0.251 |
|||
189-TS-732 |
4.010 |
7 |
1.175 |
|||
189-TS-733 |
4.010 |
7 |
1.010 |
|||
189-TS-734 |
4.010 |
7 |
1.039 |
|||
189-TS-928 |
0.000 |
9 |
<LOQ |
<LOQ |
N/A |
N/A |
189-TS-928 |
0.000 |
9 |
<LOQ |
|||
189-TS-930 |
4.010 |
9 |
0.507 |
0.933 |
23.3 |
26.8 |
189-TS-931 |
4.010 |
9 |
1.048 |
|||
189-TS-932 |
4.010 |
9 |
0.918 |
|||
189-TS-933 |
4.010 |
9 |
1.058 |
|||
189-TS-934 |
4.010 |
9 |
1.133 |
Stability of the test item after 5 days
pH |
cTestSol(mg/L) |
Stability (%) |
Hydrolysis (%) |
|
Day-0 |
Day-5 |
|||
4 |
3.830 |
1.507 |
39.4 |
60.6 |
7 |
3.744 |
0.938 |
25.0 |
75.0 |
9 |
4.219 |
0.933 |
22.1 |
77.9 |
Description of key information
In a preliminary hydrolysis study the potential for hydrolysis of Ocimene PQ was determined according to an OECD 111 guideline study. The Ocimene PQ exceeded 10% degradation when stored for 5 days at 50°C and at a pH 4, 7 and 9. Therefore, it is hydrolytically not stable at 50 ºC.
In a second study the rate of degradation via hydrolysis of Ocimene PQ was determined the rate of degradation at pH 4, 7 and 9 and at 20, 35 and 50 °C. This was done in accordance with OECD TG 111. The hydrolysis Dissipation Time for 50% of the applied Ocimene PQ was determined to be 73.3 hours at a pH of 7 and temperature of 20 °C.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 73.3 h
- at the temperature of:
- 20 °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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