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EC number: 915-568-3 | CAS number: -
- 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:
- 29 April 2010 to 4 August 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP study; read-across from related substance (Resin 835 A)
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guidelineopen allclose all
- 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:
- soil/sewage sludge
Test material
- Reference substance name:
- Reaction mass of Rosin, hydrogenated and [1R-(1a,4aß,10aa)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
- IUPAC Name:
- Reaction mass of Rosin, hydrogenated and [1R-(1a,4aß,10aa)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
- Reference substance name:
- Resin 835 A
- IUPAC Name:
- Resin 835 A
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
PHYSICO-CHEMICAL PROPERTIES
- pKa (calculated by the software PALLAS pKa Prediction Module 5.1, version 3.7.1.1): The calculated pKa's of the main components of "Resin 835 A"
are 5.1 (acidic group) each. - Radiolabelling:
- no
Study design
- Test temperature:
- 35 °C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Finnigan Surveyor
- Type: HPLC
- analytical column: LiChrospher 100 CN 5 µm 150*3 mm; Col. No. Q31021; ARC Seibersdorf
- Detection system: DAD (UV 210 nm)
MOBILE PHASES Test 1
- Type: 45% methanol (Chromasolv, Sigma-Aldrich, Lot. No. SZBAO21S); 55% buffer* pH 4.0 in water (10 mMol/L potassiumdihydrogencitrate)
- Experiments with additives carried out on separate columns: no
- pH: 4.0
- Solutes for dissolving test and reference substances: Methanol and mobile phase
MOBILE PHASES Test 2
- Type: 40% methanol (Chromasolv, Sigma-Aldrich, Lot. No. SZBAO21S); 60% buffer* pH 6.5 in water (10 mMol/L potassiumdihydrogencitrate)
- Experiments with additives carried out on separate columns: no
- pH: 6.5
- Solutes for dissolving test and reference substances: Methanol and mobile phase
DETERMINATION OF DEAD TIME
The dead time t0 was determined by an unretained compound (sodium nitrate; assay 99.6 %; Lot 50330; Riedel de Haen).
REFERENCE SUBSTANCES
see results
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: see results
- Quantity of reference substances: see results
- Intervals of calibration: on day of analysis
REPETITIONS
- Number of determinations: 2
According to the guidelines a minimum of six reference points, if possible at least one above and one below the expected value of the test substance
should be used.
Freshly prepared solutions of six reference compounds in the mobile phase were injected individually to identify their peak in this HPLC-system. Then
they were injected simultaneously (before and after the test substance) and the exact retention times were determined in duplicate. The corresponding capacity factors and logarithms of the capacity factors were calculated and plotted as a function of the log KOC.
A linear regression line was calculated from the data of this graph.
The log KOC values of the reference compounds are described in the guidelines.
SELECTION of pH
According to the guideline two tests should be performed, for ionisable substances with both ionised and non-ionised forms but only in cases where at least 10 % of the test compound will be dissociated within pH 5.5 to 7.5.
The pKa’s of the main components of the test substance were estimated using an atom/fragment contribution method (Software Pallas 3.7.1.1 pKa prediction module pKalc 5.1). The calculated pKa's are 5.1 (acidic group) each. The undissociated acid can be obtained by adjusting the pH to at least one pH-unit below the pKa. The acidic components will exist in the undissociated form at pH less than ca. 4.1 and in the dissociated form at pH greater than ca 6.1.
Therefore two experimental tests at pH 4.0 and pH 6.5 were performed.
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- > 3.1 - < 4.5
- Temp.:
- 35 °C
- Remarks on result:
- other: pH 4.0
- Type:
- log Koc
- Value:
- > 0.9 - < 2
- Temp.:
- 35
- Remarks on result:
- other: pH 6.5
Results: HPLC method
- Details on results (HPLC method):
- Test 1 at pH 4.0:
The actual pH value of the mobile phase during the test was 4.0.
The temperature during the test was 35 °C.
The calibration curve of the reference substances was: log k' = 0.2856 x log KOC – 0.4559 (see attachment)
Several unidentified compounds were found in the (log KOC) range of 3.1 to 4.5.
The adsorption coefficients log KOC of the main components of "Resin 835 A" are in the range of: 3.1 to 4.5 at pH 4.0.
Test 2 at pH 6.5:
The actual pH value of the mobile phase during the test was 6.5.
The temperature during the test was 35 °C.
The calibration curve of the reference substances was: log k' = 0.3341 x log KOC – 0.4534 ( see attachment)
Several unidentified compounds were found in the (log KOC) range of 0.9 to 2.0.
The adsorption coefficients log KOC of the dissociated main components of "Resin 835 A" are in the range of: 0.9* to 2.0 at pH 6.5.
*The experimentally determined log KOC is outside the range (1.5 to 5.0) for which the method is published in the guideline.
Any other information on results incl. tables
Table1: Reference and test substance purity and concentration
substances |
purity |
concentration in |
sodium nitrate; |
|
|
|
|
|
acetanilide; |
|
|
methyl benzoate; |
|
|
isoproturon; |
|
|
triadimenol; |
|
|
naphthalene; |
|
|
1,2,3-trichlorobenzene; |
|
|
α-endosulfan; |
|
|
4’4 DDT; |
|
|
|
|
|
"Resin 835 A" |
see2.1 |
|
Table2: Results for reference and test substancestest 1 at pH 4.0
substance |
retention time |
capacity factor k' |
mean |
log KOC* |
||
a |
b |
a |
b |
|||
sodium nitrate |
1.16 |
1.16 |
-- |
-- |
-- |
-- |
methylbenzoate |
2.45 |
2.44 |
1.11 |
1.10 |
0.04 |
1.80 |
isoproturon |
2.69 |
2.69 |
1.32 |
1.32 |
0.12 |
1.86 |
triadimenol |
3.14 |
3.14 |
1.71 |
1.71 |
0.23 |
2.40 |
1,2,3-trichlorobenzene |
4.21 |
4.20 |
2.63 |
2.62 |
0.42 |
3.16 |
α-endosulfan |
6.70 |
6.63 |
4.78 |
4.72 |
0.68 |
4.09 |
4'4 DDT |
18.91 |
18.74 |
15.30 |
15.16 |
1.18 |
5.63 |
"Resin 835 A" |
||||||
unknown component(s) |
4.23 |
4.16 |
2.65 |
2.59 |
0.42 |
3.06 |
unknown component(s) |
7.15 |
7.08 |
5.16 |
5.10 |
0.71 |
4.08 |
unknown component(s) |
8.75 |
8.84 |
6.54 |
6.62 |
0.82 |
4.46 |
*The log KOC-values of the reference compounds are taken from the guidelines.
Table3: Results for reference and test substances test 2 at pH 6.5
substance |
retention time |
capacity factor k' |
mean |
log KOC* |
||
a |
b |
a |
b |
|||
sodium nitrate |
1.16 |
1.16 |
-- |
-- |
-- |
-- |
acetanilide |
2.13 |
2.13 |
0.84 |
0.84 |
-0.08 |
1.25 |
methylbenzoate |
2.80 |
2.79 |
1.41 |
1.41 |
0.15 |
1.80 |
triadimenol |
3.94 |
3.93 |
2.40 |
2.39 |
0.38 |
2.40 |
naphthalene |
5.14 |
5.13 |
3.43 |
3.42 |
0.53 |
2.75 |
1,2,3-trichlorobenzene |
5.49 |
5.48 |
3.73 |
3.72 |
0.57 |
3.16 |
α-endosulfan |
10.10 |
9.99 |
7.71 |
7.61 |
0.88 |
4.09 |
"Resin 835 A" |
||||||
unknown component(s) |
1.96 |
1.96 |
0.69 |
0.69 |
-0.16 |
0.87 |
unknown component(s) |
2.46 |
2.43 |
1.12 |
1.09 |
0.04 |
1.49 |
unknown component(s) |
2.59 |
2.59 |
1.23 |
1.23 |
0.09 |
1.63 |
unknown component(s) |
3.12 |
3.10 |
1.69 |
1.67 |
0.23 |
2.03 |
*The log KOC-values of the reference compounds are taken from the guidelines.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficients log KOC of the main components of "Resin 835 A" are in the range of: 3.1 to 4.5 at pH 4.0 and 0.9 to 2.0 at pH 6.5.
- Executive summary:
The adsorption coefficient (log Koc) was determined using HPLC.
Test 1 at pH 4.0: The actual pH value of the mobile phase during the test was 4.0. The temperature during the test was 35 °C. The calibration curve of the reference substances was: log k' = 0.2856 x log KOC – 0.4559 (see attachment) Several unidentified compounds were found in the (log KOC) range of 3.1 to 4.5. The adsorption coefficients log KOC of the main components of "Resin 835 A" are in the range of: 3.1 to 4.5 at pH 4.0. Test 2 at pH 6.5: The actual pH value of the mobile phase during the test was 6.5. The temperature during the test was 35 °C. The calibration curve of the reference substances was: log k' = 0.3341 x log KOC – 0.4534 ( see attachment) Several unidentified compounds were found in the (log KOC) range of 0.9 to 2.0. The adsorption coefficients log KOC of the dissociated main components of "Resin 835 A" are in the range of: 0.9* to 2.0 at pH 6.5. *The experimentally determined log KOC is outside the range (1.5 to 5.0) for which the method is published in the guideline.
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