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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 500-007-3 | CAS number: 9003-50-3
- 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:
- 22 July 2016 - 03 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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
- 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
- Type of method:
- HPLC estimation method
- Media:
- sewage sludge
- Radiolabelling:
- no
- Test temperature:
- Not specified
- Details on study design: HPLC method:
- The principle of the test method is similar to that of the OECD guideline no. 117: "Partition coefficient (n-octanol/water), high performance liquid chromatography (HPLC) method".
While passing through the column along with the mobile phase the test item interacts with the stationary phase. As a result of partitioning between mobile and stationary phases, the test item is retarded. The dual composition of a cyanopropyl stationary phase, having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between the retention time on the column and the Koc on organic matter to be established.
The test item was a reaction mass and was considered a complex substance. Therefore, the adsorption coefficient was investigated using buffer at pH 7. Obtained chromatograms, however, were not meaningful and lacked repeatability. Tests were most probably hampered by insufficient solubility of the test item in buffer pH 7. The adsorption coefficient was, therefore, determined at neutral pH.
Solutions of reference substances with known log Koc values based on soil adsorption data and the test item were analysed. The capacity factor (k') of each compound was calculated from its retention time. The log k’ values of the references substances were plotted against the known log Koc values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The coefficient of correlation (r) was calculated. The log Koc value for the test item was calculated by substituting its mean log k’ in the calibration curve. The value of log Koc obtained from duplicate measurements was within +/- 0.25 log units.
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
Mobile phase: 55/45 (v/v) methanol/water
Gradient:
Time
[minutes] %A %B
0 55 45
10 55 45
16 100 0
26 100 0
26.10 55 45
35 55 45
Flow: 0.4 mL/min
Injection volume: 5 μL
UV detection: 210 nm - Type:
- log Koc
- Value:
- 2.93 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Matrix:
- Test item solution 10.0 mg/L diluted from a stock solution of 1000 mg/L with 55/45 (v/v) methanol/water
- Type:
- Koc
- Value:
- 8 600 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Matrix:
- Test item solution 10.0 mg/L diluted from a stock solution of 1000 mg/L with 55/45 (v/v) methanol/water
- Type:
- log Koc
- Value:
- 5.02 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Matrix:
- Test item solution 10.0 mg/L diluted from a stock solution of 1000 mg/L with 55/45 (v/v) methanol/water
- Type:
- Koc
- Value:
- 110 000 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Matrix:
- Test item solution 10.0 mg/L diluted from a stock solution of 1000 mg/L with 55/45 (v/v) methanol/water
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Matrix:
- Test item solution 10.0 mg/L diluted from a stock solution of 1000 mg/L with 55/45 (v/v) methanol/water
- Type:
- Koc
- Value:
- > 43 000 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Matrix:
- Test item solution 10.0 mg/L diluted from a stock solution of 1000 mg/L with 55/45 (v/v) methanol/water
- Details on results (HPLC method):
- The equation of the regression line was: log k’ = 0.336 - log Koc – 1.04 (r = 0.98, n = 16).
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The adsorption co-effiecient for the majority of the components for Hepteen Base® was determined to be log Koc : > 5.63 by HPLC method based on soil adsorption reference data.
- Executive summary:
A study was conducted in order to determine the adsorption coefficient. The study was conducted in accordance with the following guidelines in a GLP accredited laboratory:
European Community (EC), EC no. 440/2008, Part C: Methods for the Determination of Ecotoxicity, Guideline C.19: “Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)”, OfficialJournal of the European Union no. L142, May 31, 2008.
Organization for Economic Co-operation and Development (OECD), OECD Guideline for the Testing of Chemicals no. 121: "Estimation of the Adsorption Coefficient (Koc) onSoil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)”,January 22, 2001.
European Commission (EC), Technical Guidance Document on Risk Assessment Part III, Chapter 4.3: “Use of (Quantitative) Structure Activity Relationships ((Q)SARs)- Soil andSediment Sorption”, 2003.
The Koc and log Koc values of the test item at neutral pH were:
Koc
log Koc
Area
%
Test item–peak 1
8.6x102
2.93
19
Test item–peak 2
1.1x105
5.02
19
Test item–peak 3
> 4.3x105
5.63
63
Reference
Koc of the test item
Substance |
tr,1 [min] |
tr,2 [min] |
mean tr (n=2) |
log Koc |
Koc |
Area % |
Formamide (t0) |
0.760 |
0.760 |
0.760 |
|
|
|
Acetanilide |
0.898 |
0.897 |
|
1.26 |
|
|
Monuron |
1.081 |
1.081 |
|
1.99 |
|
|
2,5-Dichloroaniline |
1.205 |
1.204 |
|
2.55 |
|
|
Naphthalene |
1.384 |
1.384 |
|
2.75 |
|
|
Benzoic acid phenylester |
1.607 |
1.603 |
|
2.87 |
|
|
Fenthion |
2.074 |
2.074 |
|
3.31 |
|
|
Phenanthrene |
2.281 |
2.278 |
|
4.09 |
|
|
Phenanthrene |
5.167 |
5.169 |
|
5.63 |
|
|
Test item–peak 1 |
1.420 |
1.447 |
1.434 |
2.93 |
8.6x102 |
19 |
Test item–peak 2 |
4.155 |
4.166 |
4.161 |
5.02 |
1.1x105 |
19 |
Test item–peak 3 |
14.942 |
14.943 |
14.943 |
> 5.63 |
> 4.3x105 |
63 |
Description of key information
The adsorption co-effiecient for the majority of the components for Hepteen Base® was determined to be log Koc : > 5.63 by HPLC method based on soil adsorption reference data.
Key value for chemical safety assessment
- Koc at 20 °C:
- 430 000
Additional information
A study was
conducted in order to determine the adsorption coefficient. The study
was conducted in accordance with the following guidelines in a GLP
accredited laboratory:
European Community (EC), EC no. 440/2008, Part C: Methods for the Determination of Ecotoxicity, Guideline C.19: “Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)”, OfficialJournal of the European Union no. L142, May 31, 2008.
Organization for Economic Co-operation and Development (OECD), OECD Guideline for the Testing of Chemicals no. 121: "Estimation of the Adsorption Coefficient (Koc) onSoil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)”,January 22, 2001.
European Commission (EC), Technical Guidance Document on Risk Assessment Part III, Chapter 4.3: “Use of (Quantitative) Structure Activity Relationships ((Q)SARs)- Soil andSediment Sorption”, 2003.
[LogKoc: 5.63]
[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.
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.