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EC number: 613-953-8 | CAS number: 66603-10-9
- 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
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- March 2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 004
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- GLP compliance:
- no
Test material
- Reference substance name:
- Cyclohexylhydroxydiazene 1-oxide, potassium salt
- EC Number:
- 613-953-8
- Cas Number:
- 66603-10-9
- Molecular formula:
- C6H11KN2O2
- IUPAC Name:
- Cyclohexylhydroxydiazene 1-oxide, potassium salt
- Test material form:
- solid: particulate/powder
- Details on test material:
- Test item: (N-Cyclohexyl-diazeniumdioxy)-potassium
IUPAC name: Cyclohexylhydroxydiazene 1-oxide, potassium salt
Chemical name: Cyclohexylhydroxydiazene 1-oxide, potassium salt; synonyma: (N-Cyclohexyl-diazeniumdioxy)-potassium, K-HDO, K-NCH, Xyligen K powder, Xyligen K
Molecular formula: C6 H11 K N2 O2
Molecular mass: 182.27
Constituent 1
- Specific details on test material used for the study:
- Test material: K-HDO monohydrate (includes 1 molecule of water of crystallisation)
Lot/Batch number: E7350/1
Specification: Solid
Purity: 100 %; corresponds to 91.1 % when 1 molecule of water of crystallisation is disregarded. - Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- Sampling intervals: at 0,1,2,3,4,7 days
At the end of each testing interval the samples were thermostated at 20°C. Then the aliquots for the analysis were taken out and the samples were replaced at once in the thermostated ovens (at testing temperature). - Buffers:
- Citrate buffer (pH=4),
Phosphate buffer (pH=7)
Borate buffer (pH=9)
All buffers prepared according to the OECD guideline 111. - Details on test conditions:
- The determination of the hydrolysis has been carried out according to OECD guideline 111, US-EPA OPPTS 835.2110 and EU-guideline 79/831/EWG.
As solvent bi-distilled water was used. The citrate buffer (pH=4), the phosphate buffer (pH=7) and the borate buffer (pH=9) were prepared according to the OECD guideline 111. All buffer materials were from analytical grade and purchased from Merck.
The glassware and the bi-distilled water were sterilised by heating. All test samples were stored in darkness and were free from oxygen by bubbling nitrogen for five minutes before preparation of each solution.
Duration of test
- Remarks:
- see table below
- Number of replicates:
- One hydrolysis test; repeating determination of each sample at every analysis day
Results and discussion
- Preliminary study:
- See table below
- Test performance:
- See below
- Transformation products:
- yes
Identity of transformation products
- No.:
- #1
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- cyclohexanone oxime
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 202-874-0]
- CAS number:
- 100-64-1
- Identity:
- Cyclohexanone, oxime
- Molecular formula:
- C6H11NO
- Molecular weight:
- 113.158
- SMILES notation:
- ON=C1CCCCC1
- InChl:
- InChI=1/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
- Details on hydrolysis and appearance of transformation product(s):
- The degradation of K-HDO leads to the formation of cyclohexanone oxime, which was checked with HPLC in combination with a diode-array detector. The retention time and the UV-VIS spectra are in good agreement with the pure standards of KHDO and cyclohexanone oxim.
Total recovery of test substance (in %)
- Remarks on result:
- other: see remark
- Remarks:
- Results are presented in the table below
Dissipation DT50 of parent compound
- Remarks on result:
- other: see remark
- Remarks:
- Results are presented in the table below
- Details on results:
- see below
Any other information on results incl. tables
Results of preliminary test:
A preliminary test was performed on the substance at 50° C at each of pH 4.0, 7.0 and 9.0. The samples were stored for five days in a sample conditioning bath. If less than 10 per cent of the reaction is observed, the chemical is considered to be stable.
Hydrolysis of K-HDO at pH 4, 7 and 9 and 50 °C
PH value |
T/°C |
Conc. of test substance / mg/100ml |
Stability check |
4 |
50 |
Day 0: 99.2 Day 5: 9.2 |
Hydrolytically not stable |
7 |
50 |
Day 0: 83.39 Day 5: 81.38 |
Sufficient hydrolytically stable |
9 |
50 |
Day 0: 94.03 Day 5: 93.03 |
Sufficient hydrolytically stable |
Hydrolysis of K-HDO at pH 4 and 30, 42 and 50 °C
Temperature t/°C |
Temperature control of measurement day |
Retention time |
Conc. of test substance C /mg/100 ml |
Velocity constant K /d-1 a) |
Half-life value t0.5/d b) |
30 °C |
30 |
0 |
100.28 |
|
|
|
31 |
1 |
55.13 |
0.598 |
1.16 |
|
31 |
2 |
17.75 |
0.866 |
0.80 |
|
31 |
3 |
12.22 |
0.702 |
0.988 |
|
31 |
4 |
10.88 |
0.555 |
1.248 |
|
31 |
7 |
11.85 |
0.305 |
2.271 |
|
|
|
|
Mean |
1.293 |
|
|
|
|
|
|
42 °C |
42 |
0 |
99.71 |
|
|
|
42 |
1 |
36.10 |
1.016 |
0.682 |
|
41.5 |
2 |
10.93 |
1.106 |
0.627 |
|
41.5 |
3 |
8.94 |
0.804 |
0.862 |
|
41.3 |
4 |
10.36 |
0.566 |
1.224 |
|
41.5 |
7 |
11.04 |
0.314 |
2.204 |
|
|
|
|
Mean |
1.12 |
|
|
|
|
|
|
50 °C |
50 |
0 |
99.71 |
|
|
|
50 |
1 |
16.18 |
1.819 |
0.381 |
|
50 |
2 |
9.08 |
1.198 |
0.578 |
|
50 |
3 |
10.02 |
0.766 |
0.905 |
|
50 |
4 |
10.29 |
0.568 |
1.220 |
|
50 |
7 |
8.44 |
0.353 |
1.963 |
|
|
|
|
Mean |
1.01 |
a) k = (2.303/t)log(C0/Ct): C0=start concentration of test substance; Ct= concentration of the test substance at time t.
b) t0.5= 0.693/k
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Conclusions:
- K-HDO ist hydrolytically stable at pH 7 and pH 9 and 50 °C. At pH 4 and 30, 42 and 50 °C hydrolysis has been observed. The degradation product cyclohexanone oxime has been determined via HPLC.
- Executive summary:
The determination of the hydrolysis of K-HDO has been carried out according to OECD guideline 111, US-EPA OPPTS 835.2110 and EU-guideline 79/831/EWG. As solvent bi-distilled water was used. The citrate buffer (pH=4), the phosphate buffer (pH=7) and the borate buffer (pH=9) were prepared according to the OECD guideline 111.
The determination of the hydrolysis of K-HDO has been carried out according to OECD guideline 111, US-EPA OPPTS 835.2110 and EU-guideline 79/831/EWG. As solvent bi-distilled water was used. The citrate buffer (pH=4), the phosphate buffer (pH=7) and the borate buffer (pH=9) were prepared according to the OECD guideline 111.
A preliminary test on K-HDO was performed at 50° C each at pH 4.0, 7.0 and 9.0. The samples were stored for five days in a sample conditioning bath. At pH 7 and pH 9 at 50 °C less than 10 per cent are hydrolysed in 5 days and the substance was therefore considered to be hydrolytically stable. In the main test the hydrolysis of K-HDO was determined at pH 4 and 30, 42 and 50 °C.
The reaction order of the hydrolysis reaction didn’t follow a first order reaction. Therefore the half life time is calculated by the velocity constants of each measurement and the average of five measurement is given for 30, 42 and 50 °C.
From the velocity constants at 30 and 42 °C the following values can be calculated for the factor A and the activation energy B of the Arrhenius equation k= Ae-B/RT:
A = 249.47 d-1, B = 15170.7 J/mol.
Therefore, a velocity constant of k (25°C) = 0.5485 d-1, and a half-live time t0.5(25 °C) = 1.26 d can be calculated.
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