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EC number: 700-316-5 | CAS number: 1155405-88-1
- 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:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 2002-04-17 until 2002-06-24
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP Guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
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))
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
Test material
- Reference substance name:
- Tri (hexyl, octyl, decyl)-citrat
- IUPAC Name:
- Tri (hexyl, octyl, decyl)-citrat
- Reference substance name:
- -
- EC Number:
- 430-290-8
- EC Name:
- -
- IUPAC Name:
- 430-290-8
- Reference substance name:
- 2-Hydroxypropane-1,2,3-tricarboxylic acid, tri (hexyl, octyl, decyl) ester
- IUPAC Name:
- 2-Hydroxypropane-1,2,3-tricarboxylic acid, tri (hexyl, octyl, decyl) ester
- Details on test material:
- - Name of test material: Tri (hexyl, octyl, decyl)-citrat
- Substance type: Product
- Physical state: Colourless liquid
- Analytical purity: 99.9%
- Lot/batch No.: 00073032
- Storage condition of test material: room temperature
Constituent 1
Constituent 2
Constituent 3
- Radiolabelling:
- no
Study design
- Test temperature:
- 25 °C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: pump: Jasco PU980
- Type, material and dimension of analytical (guard) column: Zorbax CN, 25x0.46 cm
- Detection system: Jasco UV-975 set to 220 nm
MOBILE PHASES
- Type: Methanol-water, 55:45
- flow rate: 1.0 mL/min
- pH: not mentioned
- Solutes for dissolving test and reference substances: mobile phase
DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column: was measured using formamide as a non-retained solute.
REFERENCE SUBSTANCES
- Identity: Acetanilide; N,N-dimethylbenzamide; methyl benzoate; aniline; linuron; naphthalene; fenthion; phenanthrene; DDT
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 26.82 µg
- Quantity of reference substances: 0.05 µg Acetanilide; 0.05 µg N,N-dimethylbenzamide; 0.06 µg methyl benzoate; 0.05 µg aniline; 0.05 µg linuron; 0.01 µg naphthalene; 0.28 µg fenthion; 0.05 µg phenanthrene; 0.28 µg DDT
- Intervals of calibration: two calibration lines were constructed, each containg six calibration substances. Part 1 included acetanilide; N,N-dimethylbenzamide; methyl benzoate; linuron; naphthalene; fenthion. Part 2 included: aniline; linuron; naphthalene; fenthion; phenanthrene; DDT.
REPETITIONS
- Number of determinations: two runs
EVALUATION
- Calculation of capacity factors k': the capacity factor, k, may be calculated from the retention time: k = (TR - T0)/T0 (TR = retention time for the calibration substances, and T0 is that for the void volume marker. The log of the capacity factor is plotted against the log of the adsorption coefficient to derive calibration graph: log k = slope x log Koc + constant.
- Calculation of retention times: KPLC retention data are generated for a series of calibration substances and the test substance.
- Determination of the log Koc value: The estimated adsorption coefficient is then calculated from the calibration graph obtained using the calibration substances: log Koc = (log k - constant)/slope. Consideration of the fiducial limits according to Fieller's Theorem permits derivation of the 95% confidence interval for the results.
Batch equilibrium or other method
- Analytical monitoring:
- no
Results and discussion
Adsorption coefficient
- Type:
- log Koc
- Value:
- > 5.5 - < 6.5
- Temp.:
- 25 °C
Results: HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration:
Run 1: min log k Run 2 min log k
Formamide: 3.173 - 3.177 -
Acetanilide: 3.920 -0.628 3.907 -0.639
N,N-dimethylbenzamide: 4.180 -0.499 4.177 -0.502
Methyl benzoate: 4.618 -0.342 4.610 -0.346
Aniline: 5.610 -0.115 5.313 -0.172
Linuron: 6.203 -0.020 6.213 -0.020
Naphthalene: 6.247 -0.014 6.247 -0.015
Fenthion: 8.990 0.263 8.998 0.263
Phenanthrene: 10.177 0.344 10.193 0.344
DDT: 18.057 0.671 18.070 0.671
- Details of fitted regression line (log k' vs. log Koc):
The two calibration lines were highly linear:
Run 1 Part 1: Slope = 0.4215; Intercept = -1.1353; Correlation = 0.9937
Run 1 Part 2: Slope = 0.2265; Intercept = -0.5832; Correlation = 0.9699
Run 2 Part 1: Slope = 0.4255; Intercept = -1.1472; Correlation = 0.9933
Run 2 Part 2: Slope = 0.2358; Intercept = -0.6246; Correlation = 0.9679
- Average retention data for test substance: The test substance eluted as three evaluated components:
Run 1 Peak 1: 3.0275 min; log Koc: cannot be evaluated
Run 1 Peak 2: 18.0500 min; log Koc: 5.54
Run 1 Peak 3: 27.5900 min; log Koc: 6.49
Run 2 Peak 1: 3.0325 min; log Koc: cannot be evaluated
Run 2 Peak 2: 18.1475 min; log Koc: 5.51
Run 2 Peak 3: 27.7175 min; log Koc: 6.42
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Executive summary:
The test substance eluted as three evaluated components:
11.5% by peak area eluted at a shorter retention time than that of the void volume marker compound formamide, and the log Koc value cannot therefore be defined.
73.4% by peak area eluted at a retention time equivalent to a log Koc value of 5.5, and within a 95% confidence area of 5.0 to 6.3.
15.1% by peak area eluted at a retention time equivalent to a log Koc value of 6.5, and within a 95% confidence area of 5.8 to 7.5.
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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