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EC number: 250-001-7 | CAS number: 30007-47-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
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- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
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- Additional physico-chemical information
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- Endpoint summary
- Stability
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- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
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- Long-term toxicity to aquatic invertebrates
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- Additional toxicological data

Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 05-Nov-2018 to 25-Feb-2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil
- Specific details on test material used for the study:
- Identification: 5-Bromo-5-nitro-1,3-dioxane
Batch (Lot) Number: 201807021
Expiry date: 30 Jun 2020 (expiry date) (taken from label)
Physical Description: White crystal powder
Purity/Composition: See Certificate of Analysis
Storage Conditions: At room temperature
Stability at higher temperatures: Stable, maximum temperature: 50°C, maximum duration: 120 minutes - Radiolabelling:
- not specified
- Test temperature:
- Analytical Method
Column temperature 35°C +/- 1°C - Details on study design: HPLC method:
- Analytical Conditions
Instrument Acquity UPLC system (Waters, Milford, MA, USA)
Detector Acquity UPLC TUV detector (Waters)
Column Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 µm (Waters)
Column temperature 35°C +/- 1°C
Injection volume 5 µL
Mobile phase 55/45 (v/v) methanol/buffer pH 7
Flow 0.4 mL/min
UV detection 210 nm - Key result
- Sample No.:
- #1
- Type:
- Koc
- Value:
- ca. 1.9 L/kg
- pH:
- 7
- Temp.:
- 35 °C
- Matrix:
- cyanopropyl stationary phase
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- ca. 1.28 dimensionless
- pH:
- 7
- Temp.:
- 25 °C
- Matrix:
- cyanopropyl stationary phase
- Details on results (HPLC method):
- pKa Values
No pKa values for acidic and basic groups in the molecular structure of the test item in the logarithm range of 1 – 14 were calculated.
Koc HPLC Method
In the chromatogram of the test solution, one major peak and two small test item peaks were observed. The equation of the regression line was: log k’ = 0.327 x log Koc – 0.803 (r = 0.98, n = 16). - Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of 5-Bromo-5-nitro-1,3-dioxane. The Koc and log Koc values of the test item at pH 7 were:
Koc log Koc Peak Area %
Test item - peak 1 1.9 x 10 e1 1.28 96
Test item - peak 2 1.6 x 10 e4 4.21 1.8
Test item - peak 3 2.0 x 10 e4 4.30 1.8 - Executive summary:
Information: Adsorption coefficient
Guideline: EC C.19 OECD 121
Result: log Koc : 1.28 (area 96%)
log Koc : 4.21 (area 1.8%)
log Koc : 4.30 (area 1.8%)
HPLC method based on soil-adsorptionreference data
Reference
Description of key information
The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of the test substance. The Koc value of the main species identified in the test item (96% peak area) at pH 7 was 19.
Key value for chemical safety assessment
- Koc at 20 °C:
- 19
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