Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 240-344-0 | CAS number: 16215-49-9
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-03-29 to 2018-04-16 (experimental phase)
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 835.2120 (Hydrolysis of Parent and Degradates as a Function of pH at 25°C)
- Principles of method if other than guideline:
- The results on the stability of the test item versus hydrolysis are supposed to be used as arguments for tests on further physico-chemical properties, especially the water solubility. The determination of hydrolysis is performed to find whether the water solubility of the test item can be determined or not. Therefore, the determination of hydrolysis in this study is limited to a modified pre-test (Tier 1). During this modified pre-test samples of the test item are incubated at room temperature (approx. 22°C) and repeated measurements by NMR are performed. The identity of hydrolysis products is determined both by NMR spectrometry as well as by GC-MS measurements.
Assuming pseudo-first order kinetics as mentioned above the reaction rate k depends only on the pH value and the temperature. In order to determine the hydrolysis reaction, to acetonitrile-d3 solutions of the test item a defined amount of water was added and the solutions were incubated at a room temperature (approx. 22°C) without adjustment of pH. The hydrolysis results in the decrease of the test item concentration as a function of time.
The logarithms of the concentrations are plotted against time and the slope of the resulting straight line (assuming first-order or pseudo-first order behavior) gives the rate constant from the formula: kobs = - slope. - GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 1252508-01
- Expiration date of the lot/batch: 04/2018
- Purity test date: CoA of Peroxan NBC-50, dated 08-Jan-2018, PERGAN GmbH - Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- Due to the known tendency of the test item to fast hydrolysis the standard Tier 1 was not performed. To be able to show the fast hydrolysis of the test item, samples were prepared in NMR tubes and repeated measurements were performed at room temperature (approx. 22°C).
For determination of the 1H-NMR spectra of the test item prior to hydrolysis, a test solution of 21 mg of the test item in 0.6 mL of acetonitrile-d3 (with 0.2 % of tetramethylsilane for referencing) was prepared. This solution was measured directly after preparation, the resulting spectra correspond to the t=0 values.
Afterwards an amount of 100 μL of distilled water was added to this NMR tube to initialize hydrolysis. This sample was then measured subsequently over a total period of 73 min. Since, for determination of hydrolysis rate constants, the slope of the starting hydrolysis reaction is relevant, longer hydrolysis reaction times were not analyzed. - Preliminary study:
- See below ''Any other information on results incl. tables'
- Transformation products:
- yes
- Remarks:
- n-Butanol could be identified as the main hydrolysis product by NMR and GC-MS. Carbon dioxide must also have formed as a complementary hydrolysis product that was not detectable by NMR and GC-MS.
- No.:
- #1
- Details on hydrolysis and appearance of transformation product(s):
- The hydrolysis process is a simple conversion from the unhydrolysed test item to one individual hydrolysis product. The reaction therefore can be seen as a hydrolysis reaction of first order. The hydrolysis product is n-butanol.
- Key result
- Temp.:
- 22 °C
- Hydrolysis rate constant:
- 0.01 min-1
- DT50:
- 66.6 min
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: The test item was dissolved in acetonitrile-d3 and water was added to start hydrolysis. Due to the need for modified testing conditions (high content of organic modifier), the test was performed without adjustment of pH.
- Details on results:
- The measured data showed that the test item was instable after addition of water with rapid hydrolysis starting from the preparation of the test item solutions even at 22°C. After 73 min of hydrolysis time the concentration of the unhydrolysed test item dropped below 50 %.
- Validity criteria fulfilled:
- not specified
- Conclusions:
- For the given experimental set-up, the measured half-life time of the test item without pH adjustment was 66.6 min. n-Butanol could be identified as the main hydrolysis product by NMR and GC-MS.
- Executive summary:
The abiotic degradation of the test item dibutyl peroxydicarbonate (50 % w/w in isododecane) was determined based on OECD-Guideline 111, European Commission Council Regulation (EC) No 440/2008, Annex, Part C, method C.7. and US EPA OCSPP 835.2120. Within this study a modified pre-test was performed to find out whether the test item is sufficiently stable in water to perform the determination of the water solubility.
Due to the known tendency of the test item to fast hydrolysis the standard Tier 1 was not performed. To be able to show the fast hydrolysis of the test item, samples were prepared in NMR tubes and repeated measurements were performed at room temperature (approx. 22°C). The test item was dissolved in acetonitrile-d3 and water was added to start hydrolysis. Due to the need for modified testing conditions (high content of organic modifier), the test was performed without adjustment of pH.
At room temperature (approx. 22°C) the test item was found to be instable upon addition of water. Hydrolysis started immediately after addition of water to the dissolved test item. The analytical determination of the t = 0 min concentration was possible prior to addition of water. The first measurement of the test item after addition of water, that was achieved after approx. 17 min of hydrolysis time (incl. measuring time), showed hydrolysis at a level of approx. 19 %. The half-life time as well as the hydrolysis rate constant at room temperature (approx. 22°C) could be estimated. For the given experimental set-up, the measured half-life time of the test item without pH adjustment was 66.6 min.
n-Butanol could be identified as the main hydrolysis product by NMR and GC-MS. Carbon dioxide must also have formed as a complementary hydrolysis product that was not detectable by NMR and GC-MS.
Reference
Results of the Preliminary Test
The measured values and calculated results of the preliminary test are summarized in the following Table 1. For calculation of half-life times and hydrolysis rate constants the 1H purities at each test point were taken into account. The initial purity of 100.00 % was used as c0 (concentration at t=0). The concentrations of the samples are calculated as 1H purities, since the total amount of terminal methylene groups (signal 4 was used for evaluation) in the sample cannot change during hydrolysis. For this signal group a significant difference in chemical shift – depending on the chemical structure of the molecule – can be observed. While signal group 4 shows a approx. 4.45 ppm, the shift is reduced to 3.80 ppm in the hydrolysis product. As long as there is no precipitation (which was not observed), all species present in the sample will lead to a 1H-NMR signal. Measured signal intensities are molar intensities. Due to the fact that the test itemdibutyl peroxydicarbonate is expected to hydrolyse to form n-butanol, the amount of group 4 signals is supposed to be identical for both the unhydrolysed test item as well as for the hydrolysis product.
Test conditions: Temperature = approx. 22°C
Table 1. Results of the Preliminary Tests – Summary
Sample |
Time of |
Concentration |
Hydrolysed |
Result |
Start value |
0.00 |
100.00 |
0.00 |
Half-life time |
Measurement 1 |
17.00 |
80.87 |
19.13 |
|
Measurement 2 |
36.00 |
68.79 |
31.21 |
|
Measurement 3 |
49.00 |
61.62 |
38.38 |
66.6 min |
Measurement 4 |
61.00 |
53.55 |
46.45 |
|
Measurement 5 |
73.00 |
45.96 |
54.04 |
Evaluation of Hydrolysis Rate Constants and Half-Life Times
Due to the results from the preliminary test, the single measurements of the preliminary test are used for the estimation of hydrolysis rate constants as well as the half-life time of the test item at approx. 22°C.
In the following table the results from the measurement of the preliminary test are summarized, the concentrations of the test item and the calculated ln (c0/ct) values are given.
Table 2. Calculated results for the Preliminary Test at approx. 22°C
Time [min] |
Concentration of Test Item [1H-%] |
ln (c0/ct) |
Hydrolysis [%] |
0.00 |
100.00 |
0.000000 |
0.00 |
17.00 |
80.87 |
0.212327 |
19.13 |
36.00 |
68.79 |
0.374112 |
31.21 |
49.00 |
61.62 |
0.484184 |
38.38 |
61.00 |
53.55 |
0.624554 |
46.45 |
73.00 |
45.96 |
0.777399 |
54.04 |
The slope of the linear regression was determined to be 0.01041 which directly gives the observed hydrolysis rate constant at approx. 22°C. According to the theory, only the starting slope of the reaction of pseuo-first order follows the linear correlation between c0 and ct. Therefore the measured five time points are sufficient to fully describe the hydrolysis behavior of the test item.
The calculated value for the hydrolysis rate constant at approx. 22°C is: kobs = 0.01041 [min-1] corresponding to a half-life time of t0.5 = 66.6 min (22°C)
Description of key information
The abiotic degradation of dibutyl peroxydicarbonate (50 % w/w in isododecane) was determined based on OECD-Guideline 111, European Commission Council Regulation (EC) No 440/2008, Annex, Part C, method C.7. and US EPA OCSPP 835.2120. Within this study a modified pre-test was performed to find out whether the test item is sufficiently stable in water to perform the determination of the water solubility.
For the given experimental set-up, the measured half-life time of the test item without pH adjustment was 66.6 min. n-Butanol could be identified as the main hydrolysis product by NMR and GC-MS.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 66.6 min
- at the temperature of:
- 22 °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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.