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EC number: 500-011-5 | CAS number: 9003-80-9
- 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
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:
- 11 July 2016 to 9 December 2016
- 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- Column temperature: 40 degrees C
- Details on study design: HPLC method:
- EQUIPMENT
Instrument: Acquity UPLC system (Waters, Milford, MA, USA)
Detector: Xevo TQ-S mass spectrometer (Waters)
Column: Acquity UPLC BEH C18, 50 mm x 2.1 mm i.d., dp = 1.7 µm (Waters)
Column temperature: 40°C +/- 1°C
Injection volume: 50 µL
Flow: 0.5 mL/min
MS detection
Ionisation source: ESI+
Cone voltage : 25 V
Collision energy: 22 eV, 24 eV and 25 eV
Acquisition: m/z 170 to m/z 93, m/z 391.2 to m/z 182
m/z 212.1 to m/z 120, m/z 351 to m/z 182,
Quantitation: m/z 170 to m/z 93, m/z 391.2 to m/z 182
MOBILE PHASES
Mobile phase : A – 0.1% formic acid in acetonitrile, B – 0.1% formic acid in water
Gradient:
Time
[minutes] %A %B
0 50 50
1.5 50 50
4 98 2
6 98 2
6.1 50 50
8 50 50
DETERMINATION OF DEAD TIME
- Method: by means of homologous series
REFERENCE SUBSTANCES
Stock solutions of the reference substances at concentrations of approximately 1 g/L in methanol were used. The stock solutions were diluted to obtain an end solution of 55/45 (v/v) methanol/water.
The blank solution for the mixture of reference substances was 55/45 (v/v) methanol/water.
Reference substance Purity CAS number Supplier log Koc#
Acetanilide 99.8% 103-84-4 Sigma-Aldrich 1.26
Monuron 99.9% 150-68-5 Sigma-Aldrich 1.99
2,5-Dichloroaniline 99.9% 95-82-9 Merck 2.55
Naphthalene 99.5% 91-20-3 Acros Organics 2.75
Benzoic acid phenylester 99.9% 93-99-2 Sigma-Aldrich 2.87
Fenthion 97.5% 55-38-9 Sigma-Aldrich 3.31
Phenanthrene 98.1% 85-01-8 Acros Organics 4.09
4,4’-DDT 98.7% 50-29-3 Sigma-Aldrich 5.63
#values according to the OECD 121 guideline based on soil adsorption data
Acros Organics, Geel, Belgium
Merck, Darmstadt, Germany
Sigma-Aldrich, Steinheim, Germany
DETERMINATION OF RETENTION TIMES
Capacity factor (k’): k' = (tr - t0)/t0
where:
tr = retention time
t0 = mean column dead time
REPETITIONS
The reference substance and test item solutions were injected in duplicate. Blank solutions were analysed by single injection.
EVALUATION
- Calculation of capacity factors k':
- Calculation of retention times:
- Determination of the log Koc value: - Key result
- Sample No.:
- #1
- Type:
- log Kp
- Value:
- ca. 3.03 dimensionless
- pH:
- 7
- Remarks on result:
- other: Result for peak 3
- Key result
- Sample No.:
- #2
- Type:
- log Kp
- Value:
- ca. 3.71 dimensionless
- pH:
- 7
- Remarks on result:
- other: Result for peak 6
- Key result
- Sample No.:
- #3
- Type:
- log Kp
- Value:
- ca. 4.17 dimensionless
- pH:
- 7
- Remarks on result:
- other: Result for peak 7
- Key result
- Sample No.:
- #4
- Type:
- log Kp
- Value:
- 4.81 dimensionless
- pH:
- 7
- Remarks on result:
- other: Result for peak 11
- Key result
- Sample No.:
- #5
- Type:
- log Kp
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Remarks on result:
- other: Result for peak 15
- Key result
- Sample No.:
- #6
- Type:
- log Kp
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Remarks on result:
- other: Result for peak 19
- Details on results (HPLC method):
- The equation of the regression line was: log k’ = 0.327 x log Koc – 825 (r = 0.983, n = 16).
Multiple peaks with log Koc from 2.09 to > 5.63 - Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of Formaldehyde, oligomeric reaction products with acetone and diphenylamine.
The Koc and log Koc values of the test item at neutral pH were:
Koc log Koc Area %
Test item – peak 3 1.1 x 10+3 3.03 34
Test item – peak 6 5.2 x 10+3 3.71 15
Test item – peak 7 1.5 x 10+4 4.17 13
Test item – peak 11 6.4 x 10+4 4.81 7.0
Test item – peak 15 > 4.3 x 10+5 > 5.63 6.7
Test item – peak 19 > 4.3 x 10+5 > 5.63 6.8 - Executive summary:
The adsorption coefficient of the substance was estimated using the HPLC method based on soil-adsorption-reference data.
Multiple peaks with log Koc from 2.09 to > 5.63 were obtained.
Reference
Kocof the test item
Substance |
tr,1 |
tr,2 |
mean tr |
log Koc |
Koc |
Area |
|
|
|
|
|
|
|
Formamide (t0) |
0.695 |
0.695 |
0.695 |
|
|
|
|
|
|
|
|
|
|
Acetanilide |
0.921 |
0.922 |
|
1.26 |
|
|
Monuron |
1.141 |
1.141 |
|
1.99 |
|
|
2,5-Dichloroaniline |
1.315 |
1.313 |
|
2.55 |
|
|
Naphthalene |
1.532 |
1.531 |
|
2.75 |
|
|
Benzoic acid phenylester |
1.812 |
1.814 |
|
2.87 |
|
|
Fenthion |
2.482 |
2.476 |
|
3.31 |
|
|
Phenanthrene |
2.735 |
2.734 |
|
4.09 |
|
|
4,4’-DDT |
6.945 |
6.957 |
|
5.63 |
|
|
|
|
|
|
|
|
|
TI206534-Peak3 |
1.707 |
1.710 |
1.709 |
3.03 |
1.1 x 103 |
34 |
TI206534-Peak6 |
2.392 |
2.396 |
2.394 |
3.71 |
5.2 x 103 |
15 |
TI206534-Peak7 |
3.085 |
3.090 |
3.088 |
4.17 |
1.5 x 104 |
16 |
TI206534-Peak11 |
4.552 |
4.564 |
4.558 |
4.81 |
6.4 x 104 |
7.0 |
TI206534-Peak15 |
12.206 |
12.208 |
12.207 |
> 5.63 |
> 4.3 x 105 |
6.7 |
TI206534-Peak19 |
12.784 |
12.784 |
12.784 |
> 5.63 |
> 4.3 x 105 |
6.8 |
Description of key information
The adsorption coefficient was determined in accordance with OECD Guideline 121.
Multiple peaks with log Koc from 2.09 to > 5.63 were obtained.
Key value for chemical safety assessment
- Koc at 20 °C:
- 430 000
Additional information
Multiple peaks with log Koc from 2.09 to > 5.63 were obtained.
[LogKoc: 5.63]
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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