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EC number: 215-662-8 | CAS number: 1338-24-5
- 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
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- Nanomaterial surface chemistry
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- Nanomaterial pour density
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- 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
- Remarks:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation based on equation Di Toro et al (2985)
- Type of method:
- other: calculated
- Media:
- soil
- Type:
- log Koc
- Value:
- 4.65 dimensionless
- Remarks on result:
- other: calculated for representative structures
- Conclusions:
- Based on the analysis results (IUCLID section 1.4) of a number of representative naphthenic acids samples, a list of potential chemical components was compiled. The log Koc of these structures was estimated with the equation of Di Toro et al. (1985). The log Koc range is 2.02-6.59.
- Executive summary:
The Koc of these structures was estimated with the equation of Di Toro et al. (1985). The log Koc range is 2.02-6.59. The median is 4.70; the mean 4.64.
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- no guideline followed
- GLP compliance:
- not specified
- Type of method:
- batch equilibrium method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- The initial trial was conducted using the 200 mg/L solution at room temperature (23 ± 1°C), and the second trial was conducted with the 5 concentrations at 4 ± 1°C.
- Analytical monitoring:
- yes
- Details on sampling:
- After each sampling the vials were removed from the shaker and centrifuged (~15, 000 g ) for 15 minutes until the supernatant was sufficiently clear of particulate matter. An appropriate aliquot of the background solution was then removed and placed in autosampler vials.
- Type:
- Kd
- Value:
- 1.9 L/kg
- Temp.:
- 4 °C
- % Org. carbon:
- 2.7
- Remarks on result:
- other: low ionic strength
- Type:
- Kd
- Value:
- 17.8 L/kg
- Temp.:
- 4 °C
- % Org. carbon:
- 2.7
- Remarks on result:
- other: high ionic strength
- Type:
- Kd
- Value:
- 1.3 L/kg
- Temp.:
- 4 °C
- % Org. carbon:
- 1.6
- Remarks on result:
- other: low ionic strength
- Type:
- Kd
- Value:
- 3.7 L/kg
- Temp.:
- 4 °C
- % Org. carbon:
- 1.6
- Remarks on result:
- other: high ionic strength
- Validity criteria fulfilled:
- yes
- Conclusions:
- Naphthenic acids obtained from OSTPW as a concentrate were observed to undergo rapid sorption to the soils tested. The values of Kd ranged
from 1.3 mL/g in Milli-Q water to 17.8 mL/g in synthetic groundwater. Selective sorption of naphthenic acids was observed, with components in the carbon number range of approximately 13 to 17 sorbing more readily than others. Soils with higher organic content appear to cause higher levels of sorption. Strong and selective sorption of oil sand tailings waters derived naphthenic acids to soils is therefore expected to be a significant attenuating process in groundwater transport. In general, low partitioning to the water column is expected for oil sands naphthenic acids in aquatic environments. Furthermore, preferential sorption of the individual naphthenic acids is expected to have high importance from a toxicity stand point since different naphthenic acid species have varying degrees of toxicity. - Executive summary:
Soils used as sorbents in this study were obtained from Fort McMurray, AB, Canada. Soil 1 was a mixture of peat and mineral soil that was produced during soil salvage operations. Soil 2 was a reclamation soil that was mixed with a small amount of peat material during the soil salvage operations. It was primarily a sandy clay to clay loam mineral material. Naphthenic acids obtained from OSTPW as a concentrate were observed to undergo rapid sorption to the soils tested. The values of Kd ranged from 1.3 mL/g in Milli-Q water to 17.8 mL/g in synthetic groundwater. The results also indicate that compounds in the Z= 0 to Z=-12 families in the carbon number range of 13 to 17 appear to sorb preferentially. This could have implications to the toxicity and transport in water since different naphthenic acids are known to have varying degrees of toxicity. Analyses of the naphthenic acid of this dossier show that the most predominant group of compounds has a Z number from zero to 3 and is situated in the C-range C10 to C19.
Referenceopen allclose all
The equation of Di Toro to calculate log Koc: log Koc = logKow*0.983 + 0.00028 for semivolatile nonionising organic substances ( Di Toro DM, A particle interaction model of reversible organic chemical sorption. Chemosphere, Volume 14, Issue 10, 1985, Pages 1503-1538)
The log Kow values are calculated with KowWin v1.68
Note: only compounds with log Kow <7 i.e. <C17 (only these are relevant for ecotox); Koc is used for PNEC calculations (see IUCLID section 6)
Results: log Koc range 2.02 -6.59; median 4.70; mean 4.64
Di Toro |
Di Toro |
||||||
C-number |
Ring |
Branch |
SMILES |
log Kow |
log Koc |
Koc |
|
C6 |
- |
- |
C(=O)(O)CCCCC |
2,05 |
2,02 |
103,62 |
|
C7 |
- |
- |
C(=O)(O)CCCCCC |
2,54 |
2,50 |
314,12 |
|
C8 |
- |
- |
C(=O)(O)CCCCCCC |
3,03 |
2,98 |
952,29 |
|
C8 |
1 pentane |
- |
C(=O)(O)CCC1CCCC1 |
2,85 |
2,80 |
633,62 |
|
C9 |
- |
methyl |
C(=O)(O)CCCC(C)CCC |
3,45 |
3,39 |
2463,94 |
|
C10 |
- |
ethyl |
C(=O)(O)CCCC(CCC)CC |
3,94 |
3,87 |
7469,65 |
|
C10 |
1 pentane |
- |
C(=O)(O)CCC1C(CC)CCC1 |
3,76 |
3,70 |
4970,04 |
|
C11 |
1 pentane |
- |
C(=O)(O)CCC1C(CCC)CCC1 |
4,25 |
4,18 |
15067,11 |
|
C12 |
1 hexane |
- |
C(=O)(O)CCC1C(CCC)CCCC1 |
4,74 |
4,66 |
45677,26 |
|
C12 |
1 pentane |
- |
C(=O)(O)CCC1C(CCCC)CCC1 |
4,74 |
4,66 |
45677,26 |
|
C12 |
2 pentanes fused |
- |
C(=O)(O)CCC1C2C(C)CCC2CC1 |
3,79 |
3,73 |
5319,25 |
|
C13 |
2 pentanes |
- |
C(=O)(O)CCC1C(C2CCCC2)CCC1 |
5,04 |
4,95 |
90074,11 |
|
C13 |
pentane hexane fused |
|
O=C(O)CCC2CCCC1CCC(C)C12 |
4,2859 |
4,21 |
16342,55 |
|
C14 |
1 hexane |
- |
O=C(O)C1C(CCCCCCCC)CCC1 |
5,72 |
5,62 |
419797,65 |
|
C14 |
2 pentanes |
- |
C(=O)(O)CCC1CC(C2C(C)CCC2)CC1 |
5,46 |
5,37 |
233055,85 |
|
C14 |
2 pentanes fused |
- |
C(=O)(O)CCCC1C2C(CC)CCC2CC1 |
4,78 |
4,70 |
50005,76 |
|
C15 |
- |
propyl |
C(=O)(O)CCCCC(CCCCCC)CCC |
6,4 |
6,29 |
1956500,67 |
|
C15 |
1 pentane |
ethyl |
C(=O)(O)CCC1C(CC(CCC)CC)CCC1 |
6,1 |
6,00 |
992156,08 |
|
C15 |
2 pentanes |
- |
C(=O)(O)CCC1C(CC2CC(C)CC2)CCC1 |
5,95 |
5,85 |
706529,01 |
|
C15 |
2 hexanes fused |
|
O=C(O)CCC1CCC2CCCC(CC)C2C1 |
5,2681 |
5,18 |
150946,24 |
|
C15 |
3 pentanes fused |
- |
C(=O)(O)CCCC1C2C3C(CC2CC1)CCC3C |
4,78 |
4,70 |
50005,76 |
|
C16 |
1 pentane |
- |
C(=O)(O)CCC1C(CCCCCCCC)CCC1 |
6,7 |
6,59 |
3858157,92 |
|
C16 |
2 pentanes |
- |
C(=O)(O)CCC1CC(C2C(CCC)CCC2)CC1 |
6,44 |
6,33 |
2141903,99 |
|
C16 |
2 hexane |
- |
C(=O)(O)C1C(CCC2C(C)CCCC2)CCCC1 |
6,44 |
6,33 |
2141903,99 |
|
C16 |
3 pentanes of which 2 fused |
- |
C(=O)(O)CC1C2C(CC3CCCC3)CCC2CC1 |
5,57 |
5,48 |
298944,11 |
The results also indicate that compounds in the Z= 0 to Z=-12 families in the carbon number range of 13 to 17 appear to sorb preferentially. This could have implications to the toxicity and transport in water since different naphthenic acids are known to have varying degrees of toxicity.
Description of key information
Modelled values indicate a minor to strong adsorption of naphthenic acids to soil. Experimental values seem to indicate a low degree of adsorption.
Key value for chemical safety assessment
- Koc at 20 °C:
- 50 005
Additional information
Based on the analysis results (IUCLID section 1.4) of a number of representative naphthenic acids samples, a list of potential chemical components was compiled. The criteria for choosing these specific structures were the occurrence of C-numbers, the number of rings and their relative share in the analysed samples. The log Koc of these structures was estimated with the equation of Di Toro et al. (1985). The log Koc range is 2.02-6.59.
Janfada et al. (2006) reported values for the Kd of naphthenic acids from oil sands, between 1.3 and 17.8L/kg at 4°C, which corresponds to calculated values of Log Koc of 1.85 to 2.82, corresponding in turn to the lower end of the estimated values (2.02-6.59).
[LogKoc: 4.69]
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