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EC number: 700-453-0 | CAS number: 59802-05-0
- 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
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009-12-08 to 2010-10-05
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guideline
- 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))
- Version / remarks:
- (2001)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: methanol
Test material
- Reference substance name:
- 1,4-Benzenedicarboxylic acid, 1,4-diisononyl ester
- EC Number:
- 700-453-0
- Cas Number:
- 59802-05-0
- Molecular formula:
- C26H42O4
- IUPAC Name:
- 1,4-Benzenedicarboxylic acid, 1,4-diisononyl ester
- Test material form:
- liquid
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- 30 °C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC
- Type: Agilent Technologies 1050, incorporating autosampler and workstation
- Type, material and dimension of analytical (guard) column: Column: CN Optimal 5 µm (150 x 4.6 mm id), Column temperature: 30 °C
- Detection system: UV detector
MOBILE PHASES
- Type: methanol: reverse osmosis water (55:45 v/v)
- Experiments with additives carried out on separate columns: no
- pH: 7.0, adjusted with 0.1M sodium hydroxide
- Solutes for dissolving test and reference substances: methanol
- Flow-rate: 1.0 mL/min
DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity ≥99.5% (supplier information), 750 mg/L solution in methanol:reverse osmosis water (55:45 v/v)).
REFERENCE SUBSTANCES
- Identity: Acetanilide, Phenol, Atrazine, lsoproturon, Triadimenol, Linuron, Naphthalene, Endosulfan-diol, Fenthion, a-Endosulfan, Phenanthrene, Diclofop-methyl, DDT
- Purities: >97.0%
- Concentrations 100-128 mg/L
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: Injection volume: 10 µl
- Quantity of reference substances: Injection volume: 10 µl, concentration 100-128 mg/L
- Calibration: A calibration curve was constructed from the retention time data of the deadtime and reference standard solutions
REPETITIONS
- Number of determinations: duplicates
EVALUATION
- Calculation of capacity factors k': The capacity factor was calculated using the equation k=(retention time (min) - dead time (min)) / dead time (min) and t
- Determination of the log Koc value: The log10Koc value was determined using the equation Log10Koc= (Log10(capacity factor) - (intercept of the calibration curve)) / (slope of the calibration curve) with reference to the calibration curve
Results and discussion
Adsorption coefficientopen allclose all
- Key result
- Sample No.:
- #1
- Type:
- Koc
- Value:
- > 42 700 dimensionless
- pH:
- 7
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 7
Results: HPLC method
- Details on results (HPLC method):
- - Average retention data for test substance: 26.474 mins
The average rentention time of formamide is 2.071 mins. The test was performed with the mobile phase at a neutral pH as the test item had no functional group that would be ionised within the relevant environmental pH range.
Any other information on results incl. tables
Log10Koc values for the reference standards
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k) |
Log10k |
Log10KOC |
|
Injection 1 |
Injection 2 |
|||||
Acetanilide |
2.664 |
2.664 |
2.664 |
0.287 |
-0.543 |
1.25 |
Phenol |
2.734 |
2.736 |
2.735 |
0.321 |
-0.494 |
1.32 |
Atrazine |
3.096 |
3.099 |
3.098 |
0.496 |
-0.305 |
1.81 |
lsoproturon |
3.402 |
3.408 |
3.405 |
0.645 |
-0.191 |
1.86 |
Triadimenol |
4.124 |
4.123 |
4.124 |
0.992 |
-3.69 x 10-3 |
2.40 |
Linuron |
4.894 |
4.897 |
4.896 |
1.36 |
0.135 |
2.59 |
Naphthalene |
4.521 |
4.522 |
4.522 |
1.18 |
7.33 x 10-2 |
2.75 |
Endosulfan-diol |
6.138 |
6.133 |
6.136 |
1.96 |
0.293 |
3.02 |
Fenthion |
7.620 |
7.626 |
7.623 |
2.68 |
0.428 |
3.31 |
α-Endosulfan |
8.787 |
8.782 |
8.785 |
3.24 |
0.511 |
4.09 |
Phenanthrene |
7.586 |
7.585 |
7.586 |
2.66 |
0.425 |
4.09 |
Diclofop-methyl |
8.787 |
8.788 |
8.788 |
3.24 |
0.511 |
4.20 |
DDT |
17.288 |
17.285 |
17.287 |
7.35 |
0.866 |
5.63 |
Adstorption coefficient of sample
Injection |
Retention Time (mins) |
Capacity Factor (k) |
Log10k |
Log10KOC |
1 |
26.475 |
>7.35 |
>0.866 |
>5.63 |
2 |
26.473 |
>7.35 |
>0.866 |
>5.63 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient has been determined to be greater than 4.27 x 10^5, log10Koc >5.63, using the HPLC screening method, designed to be compatible with Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.
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