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Registration Dossier
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EC number: 947-476-4 | 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
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Study period:
- 21-04-2008 till 16-01-2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Test is performed according to the guideline under GLP conditions. The information presented in the report allows reproduction of the test and gives sufficient information in the test substance used. For completeness also the CoA's of both 14C labelled test substance batches are attached.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)
- Deviations:
- yes
- Remarks:
- 4 soils instead of 5 soils were used
- Principles of method if other than guideline:
- Test is performed with [1-14C]octadecylpropane-1,3-diamine and not with n-hydrogenatedtallow propane-1,3-diamine.
octadecylpropane-1,3-diamine is the main component of n-hydrogenatedtallow propane-1,3-diamine. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- batch equilibrium method
- Media:
- soil
- Radiolabelling:
- yes
- Test temperature:
- 20 plus minus 2 deg C
- Details on study design: HPLC method:
- not applicable
- Analytical monitoring:
- yes
- Details on matrix:
- Speyer 2.2 Soil
Name: Speyer standard soil type 2.2
Location: Rheinland-Pfalz/Hanhofen, Germany "Grosser Striet", Nr 585
Texture (USDA): Loamy sand
Horizon: 0 - 20 cm
pH-CaC12: 5.4
% organic matter: 3.72
% organic carbon: 2.16
Particle size distribution (USDA):
% clay (<2 micrometer): 6.4
% silt (2 - 50 micrometer): 12.2
%sand (50 - 2000 micrometer): 81.4
CEC (meq1100g): 10
Water holding capacity (%): 48.2
Batch number: F222008
Field sampling date: 15 May 2008
Received from: Landwirtschaftlichte Untersuchungs- und Forschugsanstalt Speyer, Obere Langgasse 40, 67346 Speyer, Germany
Sievedlair dried on: 8 September 2008
Storage: Refrigerated after receipt at Notox, Ambient temperature after sieving/air drying
Expiry date: 15 may 2011
Speyer 2.3 soil
Name Speyer 2.3 soil
Location Germany/ Rheinland-Pfalz/Offenbach "Im Bildgarten", Nr 570
Texture (USDA): Sandy loam
Horizon: 0 - 20 cm
pH-CaCl2: 6.4
% organic matter: 1.69
% organic carbon: 0.98
Particle size distribution (USDA):
% clay (<2 micrometer): 9.4
% silt (2-50 micrometer):29.8
% sand(50-2000 micrometer):60.8
CEC (meq1100g): 8
Water holding capacity (%):34.4
Batch number: F232008
Field sampling date: 13 May 2008
Received from: Landwirtschaftlichte Untersuchungs- und Forschugsanstalt Speyer, Obere Langgasse 40, 67346 Speyer, Germany
Sievedlair dried on: 8 September 2008
Storage: Refrigerated after receipt at Notox, Ambient temperature after sieving/air drying
Expiry date: 13 may 2011
Name: LLM 164 (Cranfield 164)
Location: Farditch Farm, Chelmorton, Buxton, United Kingdom (OSmap reference SK 1050269133)
Texture (USDA): Silty clay loam
Horizon: 10 - 20 cm
pH-CaC12: 6.4
% organic matter: 6.4
% organic carbon: 3.7
Particle size distribution (USDA):
% clay (<2 micrometer): 28
% silt (2 - 50 micrometer): 52
% sand (50 - 2000 micrometer): 20
CEC (meq1100g): 22.8
Water holding capacity (%): 65.7
Batch number: LLM/008/08
Field sampling date: 4 March 2008
Received from: Landlook (Midlands), Jesmond, Leicester Lane, Cubbington Head, Leamington Spa, Warwickshire, CV32 6QY, UK
Sieved on: 10 March 2008
Air dried on: 9 june 2008
Refrigerated after receipt at Notox, Ambient temperature after sieving/air drying
Expiry date: 28 February 2011
Speyer 6S soil
Name: Speyer standard soil type 6S
Location: Germany/Rheinland-Pfalz/Siebdingen "Inder unteren Hohnert", Nr 3412
Texture (USDA): Clay
Horizon: 0 - 20 cm
pH-CaCl2: 7.2
% organic matter: 3.02
% organic carbon: 1.75
Particle size distribution (USDA):
% clay (<2 micrometer): 42.1
% Silt (2 - 50 micrometer): 36.0
% sand (50-2000 micrometer): 21.9
CEC (meq1100g): 22
Water holding capacity (%): 40.7
Batch number: F6S2208
Field sampling date: 28 May 2008
Received from: Landwirtschaftlichte Untersuchungs- und Forschugsanstalt Speyer, Obere Langgasse 40, 67346 Speyer, Germany
Sievedlair dried on: 8 September 2008
Storage: Refrigerated after receipt at Notox, Ambient temperature after sieving/air drying
Expiry date: 28 may 2011 - Details on test conditions:
- Moisture content was determined: ranging from 1 to 6.2%
Adsorption to testcontainer walls was quantified: Glass between 65 and 83% adsorption; Polyethylene between 9 and 27%; Glass was selected for the final test
The appropriate soil:solution ratio was determined: No difference was observed between 1:50 soil:solution ratio and 1:100. 1:100 was selected for the final test. Adsorption to container walls is negligible in the presence of soil
The equilibrium time for adsorption and desorption was determined:
Adsorption equilibrium was reached after 6 hours. In the final test sampling was performed after 24 hours
Desorption equilibrium was reached after 6 hours. In the final test sampling was performed after 24 hours
The adsorption isotherm was determined at an initial concentration range of: 0.1 to 10.3 mg/L in triplicate
A stock solution (StF) containing 6.46 MBq/mL [1-14C]Octadecylpropane-1,3-diamine (NOTOX substance 183546/B) in methanol was prepared. This is equivalent to 1.03 g/L. Spike solutions were prepared by diluting the stock solution with 0.01 M CaCl2 solution to five different concentrations. The exact concentrations were determined by LSC of three 0.1 mL aliquots and are given in following table:
Concentration in the test (mg/L) RSD (n=3) (%)
Spike A 0.010 5.4
Spike B 0.060 2.1
Spike C 0.211 4.2
Spike D 0.435 2.4
Spike E 1.03 1.5
Slurries (approximately 0.45 g soil and 40.5 mL 0.01 M CaCl2 solution in glass Erlenmeyer flasks were equilibrated at 20 ± 2°C in the dark on a shaker overnight, prior to spiking. The adsorption isotherms experiment was initiated by adding a known volume of approximately 4.5 mL of the different spike solutions to ten pre-equilibrated slurries of each soil (two replicates per concentration). In this way, initial [1-14C]Octadecylpropane-1,3-diamine concentrations of approximately 0.01, 0.06, 0.2, 0.4 and 1.0 mg/L were obtained. For each soil a blank sample was included using a known amount of 0.01 M CaCl2 solution and no test substance. The samples were incubated on a shaker at 20 ± 2°C in the dark. After about 24 hours of
contact time, the slurries were removed from the shaker and allowed to settle down for 30 minutes. The activity in 3 mL of clear supernatant was determined by LSC and the supernatants were decanted and weighed. The decanted supernatant was replaced by an approximately equal, known volume of fresh 0.01 M CaCl2 solution. The slurries were mixed well and placed on a shaker at 20 ± 2°C for 24 hours and activity was determined by LSC in 3
mL of supernatant. - Computational methods:
- All calculations were based on formulas given in the OECD guideline. For the purpose of the study, it is considered that the weight of 1 mL
of aqueous solution is 1 g (according to the OECD guideline). All calculations were performed using non-rounded values. Rounded values are reported in the tables. Therefore, minor differences might be observed when calculating the parameters as mentioned in the tables.
The mass balance (determined in the kinetics experiment) was calculated as:
% of applied radioactivity recovered in supernatant after adsorption +
% of applied radioactivity recovered in soil after adsorption (combustion)1 +
% of applied radioactivity recovered in supernatant after desorption2 +
% of applied radioactivity recovered in soil after desorption (combustion) 2 +
% of applied radioactivity recovered in rinsate +
% of applied radioactivity in aliquots of supernatant taken for LSC +
Mass balance (= total)
1. Only applicable when mass balance was determined after the adsorption phase.
2. Only applicable when mass balance was determined after the desorption phase.
Optimisations were performed using the program ModelMaker (AP Benson, Wallingford, Oxfordshire, UK). - Type:
- Kd
- Value:
- 530
- Temp.:
- 20 °C
- % Org. carbon:
- 2.16
- Remarks on result:
- other: Speyer 2.2
- Type:
- Kd
- Value:
- 250
- Temp.:
- 20 °C
- % Org. carbon:
- 0.98
- Remarks on result:
- other: Speyer 2.3
- Type:
- Kd
- Value:
- 450
- Temp.:
- 20 °C
- % Org. carbon:
- 3.7
- Remarks on result:
- other: Cranfield 164
- Type:
- Kd
- Value:
- 850
- Temp.:
- 20 °C
- % Org. carbon:
- 1.75
- Remarks on result:
- other: Speyer S6
- Details on results (HPLC method):
- not applicable
- Adsorption and desorption constants:
- Results obtained from the determination of equilibrium time
Kd Kdes
cm3/g cm3/g
Speyer 2.2: 220 380
Speyer 2.3: 480 900
Cranfield 164 610 1390
Speyer 6S 1410 3550
Results presented are average of two replicates - Recovery of test material:
- Recovery of the test material was determined during the determination of the equilibrium time.
Distribution of [1-14C] Octadecylpropane-1,3-diamine after adsorption stage
Soil % in solution % adsorption % in rinsate % total
Speyer 2.2 20.4 55.7 10.6 86.8
Speyer 2.3 13.5 78.5 5.9 97.9
Cranfield 164 8.9 89.1 2.5 101
Speyer 6S 6.9 95.3 2.4 105
The % adsorption is determined by combustion of the soil
Distribution of [1-14C] Otadecylpropane-1,3-diamine after desorption stage
Soil % decanted % in solution % adsorption % in rinsate % total
Speyer 2.2 23.7 21.1 43.1 3.6 91.6
Speyer 2.3 14.8 11.9 74.3 4.0 105
Cranfield 164 12.1 8.8 80.1 1.9 103
Speyer 6S 5.1 5.4 95.8 2.1 108 - Concentration of test substance at end of adsorption equilibration period:
- Speyer 2.2 (soil with the lowest sorption)
at 1.03 mg/L initial, 0.12 mg/L equilibrium ==> Kd = 730 cm3/g
at 0.0097 mg/L initial, 0.0024 mg/L equilibrium ==> Kd = 310 cm3/g
Speyer 6S (soil with highest sorption)
at 1.03 mg/L initial, 0.06 mg/L at equilibrium ==> Kd = 1520 cm3/g
at 0.0097 mg/L initial, 0.0006 mg/L at equilibrium ==> Kd = 1991 cm3/g - Concentration of test substance at end of desorption equilibration period:
- Speyer 2.2
at 1.03 mg/L initial, 0.042 equilibrium
at 0.0097 mg/L initial, 0.00045 equilibrium
Speyer 6S
at 1.03 mg/L initial, 0.017 equilibrium
at 0.0097 mg/L initial, 0.00025 equilibrium - Transformation products:
- no
- Details on results (Batch equilibrium method):
- See remarks on results including tables
- Statistics:
- No specific statistics were applied
- Validity criteria fulfilled:
- yes
- Remarks:
- Test is performed with 4 instead of 5 soils. The 4 soils used cover a wide range of soil characteristics
- Conclusions:
- A reliable, valid and adequate study. Test is completely performed according to OECD guideline 106 under GLP conditions at a concentration range from 0.01 to 1.0 mg/L but on with only 4 soils. The 4 soils used howevercover a wide range of soil characteristics and therefore the coverage of different soil types is considered to be sufficient.
- Executive summary:
The adsorption behaviour of [1-14C]Octadecylpropane-1,3-diamine was studied in four soils, including a loamy sand (Speyer 2.2; 2.16% organic carbon [OC]), a sandy loam (Speyer 2.3; 0.98% OC), a silty clay loam (Cranfield 164; 3.7% OC) and a clay (Speyer 6S; 1.75% OC).
Adsorption and desorption kinetics were determined at a nominal initial concentration of approximately 0.9 mg/L. Adsorption and desorption isotherms were determined over a concentration range from 0.01 to 1 mg/L. The adsorption-desorption experiments were carried
out at 20 °C ± 2 °C in the dark on a shaker at a soil:0.01 M CaCl2 solution ratio of 1:100. In the kinetics experiment 87% and 92% of applied activity was recovered for Speyer 2.2 soil at the end of the adsorption phase and desorption phase, respectively. For the other three soils recoveries between 98% and 108% were obtained. As the mass balance after the desorption phase of all soils was >90%, it was concluded that no activity was lost during the timeframe of the experiment.
[1-14C]Octadecylpropane-1,3-diamine adsorption isotherms could be described by the
Freundlich equation. Freundlich adsorption coefficients are summarised in the table below.
Test system
Texture
%oc
pH
CEC
KF,ads
10^3
cm^3/g
KF,oc,ads
*10^3
cm^3/g
Speyer 2.2
Loamy sand
2.16
5.4
10
0.53
22.3
Speyer 2.3
Sandy loam
0.98
6.4
8
0.25
24.7
Cranfield 164
Silty clay loam
3.70
6.0
23
0.45
12.1
Speyer 6S
Clay loam
1.75
7.2
22
0.85
45.2
Reference
Freundlich adsorption isotherm parameters for [1-14C]Octadecylpropane-1,3- diamine
Soil |
KF ads (103 cm3/g) |
KF,oc ads (103 cm3/g) |
KF,om ads (103 cm3/g) |
1/n |
r2 |
data points |
Speyer 2.2 |
0.53 |
12.9 |
22.3 |
0.89 |
0.900 |
10 |
Speyer 2.3 |
0.25 |
14.3 |
24.7 |
0.62 |
0.917 |
10 |
Cranfield 164 |
0.45 |
7.0 |
12.1 |
0.74 |
0.996 |
9 |
Speyer 6S |
0.85 |
26.2 |
45.2 |
0.81 |
0.950 |
10 |
Description of key information
No sorption/desorption tests have been performed with the test substance "Reaction mass of Amines, N-tallow alkyltrimethylenedi-, (2-ethylhexanoates), Amines, N-tallow alkyltrimethylenedi-, acetates and n-tallow-1,3 -diaminopropane ditallate" (R814M). This substance is thus a salt of tallow-1,3 -diaminopropane (CAS no 1219010 -04 -4) and a mixture of talloil fatty acids, 2 -ethylhexoic and acetic acid.
Under environmental conditions a large extent of the salt is expected to be dissociated and the tallow-1,3 -diaminopropane fraction and is expected to sorb similarly as the 14C octadecyl-1,3 -diaminopropane used in the sorption/desorption test of the alkyl-1,3 -diaminopropanes. Available ecotoxicity test data confirm this high degree of dissociation based in similar aquatic ecotoxicity observed for R814M and tallow or oleyl-1,3 -diamino propane.
For both alkyl-1,3 -diaminopropane and alkyl-1,3 -diaminopropane oleates sorption/desorption test results are available but as indicated because of the high degree of dissociation of R814M the results as presented below of the alkyl-1,3 -diaminopropane will be used for risk assessment.
The mean KFads value for the four soils of 520 L/kg is used as a realistic worst-case value to derive the distribution constants for the alkyl-1,3-diaminopropanes. Because there is no principal difference between soil and sediments considering the sorption properties and because for cationic surfactants the degree of sorption is not related to the organic carbon content, the value for soil will also be used for sediment and suspended particles. For sludge which consists mainly of organic matter the sorption data as observed for soil are not considered to be representative. This is however not a serious problem because the removal by sorption in a waste water treatment plant will be close to what is observed in the waste water treatment simulation test i.e. 4.1% removal.
In the table below, the distribution constants used in this assessment are summarized:
Table:Distribution constants for alkyl-1,3-diaminopropanes
Kpsoil |
520 L.kg-1 |
Ksoil-water |
780 m3.m-3 |
Kpsusp |
1040 L.kg-1 |
Ksusp-water |
261 m3.m-3 |
Kpsed |
520 L.kg-1 |
Ksed-water |
261 m3.m-3 |
With a Kpsuspof 1040 L/kg and a concentration of 15 mg/L suspended matter in surface waters, the adsorbed fraction is calculated as 1.5%.
Key value for chemical safety assessment
Other adsorption coefficients
- Type:
- log Kp (solids-water in soil)
- Value in L/kg:
- 2.318
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in sediment)
- Value in L/kg:
- 2.716
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in suspended matter)
- Value in L/kg:
- 3.017
- at the temperature of:
- 20 °C
Additional information
No sorption/desorption tests have been performed with the test substance"Reaction mass of Amines, N-tallow alkyltrimethylenedi-, (2-ethylhexanoates), Amines, N-tallow alkyltrimethylenedi-, acetates and n-tallow-1,3 -diaminopropane ditallate" (R814M). This substance is thus a salt of tallow-1,3 -diaminopropane (CAS no 1219010 -04 -4) and a mixture of talloil fatty acids, 2 -ethylhexoic and acetic acid.
Under environmental conditions a large extend of the salt is expected to be dissociated and the tallow-1,3 -diaminopropane fraction and is expected to sorb to a similar extend as the 14C octadecyl-1,3 -diaminopropane used in the sorption/desorption test of the alkyl-1,3 -diaminopropanes. Available ecotoxicity test data confirm this high degree of dissociation based in similar aquatic ecotoxicity observed for R814M and tallow or oleyl-1,3 -diamino propane.
Alkyl-1,3 -diaminopropanes will to a large extent be protonated under ambient conditions and will therefore interact with the negative surface of mineral particles or with negative charges of humic substances. The ionic interactions play a more important role than hydrophobic partitioning with organic matter (Droge, 2013). The log Koc is therefore considered as a poor predictor of the partitioning behaviour of cationic surfactants in the environment. Earlier results showed that using at least three soils with at least one loamy sand and a clay soil, can give as much information as using the full number of soils. These earlier tests also revealed that only rarely linear adsorption isotherms were obtained for cationic surfactants and that extrapolation to lower concentrations based on these non-linear isotherms leads to unrealistic results (e.g. EU RAR primary fatty amines Oct. 2008). According to the Danish EPA (2004) a more reliable method of extrapolation to lower concentrations, is to use the data originating from the lowest measured concentration and to assume that the coefficient remains constant at lower concentrations.
The determination of a Koc from log Kow is not opportune, because the common equations for Koc derivation are not valid for both ionic and surface active substances and therefore an OECD 106 test was performed.
Sorption/desorption of 14COctadecyl-1,3 -diaminopropane:
The adsorption behaviour of 1-14C-labelled n-octadecyl-1,3-diaminopropane was studied in a batch equilibrium experiment according OECD 106 (Corral and Brands, 2009). Three soils collected in Germany (Speyer 2.2, loamy sand: 6.4% clay, 3.7% organic matter; Speyer 2.3, sandy loam: 9.4% clay, 1.7% organic matter and Speyer S6, clay: 42.1% clay, 3.0% organic matter) and one in UK (Cranfield 164, silty clay loam: 28% clay, 6.4% organic matter) were used, encompassing a range of % clay and organic matter. The test substance adsorbed partially onto the container walls which was considered for the determination of the adsorption coefficients. Adsorption kinetics was determined by measurements at different sampling times (up to 48 h), an equilibrium was reached after 6 hours. Desorption occurred to a lesser extent than adsorption. The table below presents a summary of the most important soil properties and observed Freundlich constants.
Table:Soil properties and related Freundlich adsorption coefficients for 14C octadecyl-1,3 -diaminopropane
Test system |
Texture |
% OC |
pH |
% Clay |
Kfads (cm3/g) |
KFAdsoc (103cm3/g) |
Speyer2.2 |
Loamy sand |
2.16 |
5.4 |
6.4 |
530 |
22.3 |
Speyer2.3 |
Sandyloam |
0.98 |
6.4 |
9.4 |
250 |
24.7 |
Cranfield164 |
Silty clay loam |
3.7 |
6.0 |
28 |
450 |
12.1 |
Speyer6S |
Clay |
1.75 |
7.2 |
42.1 |
850 |
45.2 |
From the data it can be observed that the sorption onto Speyer 6S is much higher than to Cranfield 164 despite of the higher organic matter content in Cranfield 164 soil. This can be explained that ionic interactions play a more important role than hydrophobic partitioning with organic matter. Alkyl ammonium ions can interact with the surface of mineral particles or with negative charges of humic substances. The influence of the chain length on the sorption behaviour is therefore expected to be limited and the experimental results obtained in the test with octadecyl-1,3-diaminopropane can be taken as representative for other alkyl-1,3-diaminopropane products. As well, an influence of the double bond (in octadecenyl-1,3-diaminopropane) onto sorption is not expected.
The concentration used for the determination of the adsorption isotherms range from 0.01 to 1 mg/L. The isotherms observed are not linear but considered to be acceptable for extrapolation to lower concentrations (r2≥ 0.9). The observed aquatic equilibrium concentrations in the experiment range from 0.3 to 2.6 µg/L.
For the prediction of the partitioning of the tallow-1,3 -diaminopropanes in soil, sediment and suspended matter not the KFadsbased on organic matter will used but the uncorrected KFadsbecause there is no relation between the organic matter concentration and the sorption observed.
The mean KFadsvalue for the four soils of 520 L/kg will be used as a realistic worst-case to derive the distribution constants for the alkyl-1,3-diaminopropanes. Because there is no principal difference between soil and sediments considering the sorption properties and because for cationic surfactants the degree of sorption is not related to the organic carbon content, the value for soil will also be used for sediment and suspended particles. For sludge which consists mainly of organic matter the sorption data as observed for soil are not considered to be representative. This is however not a serious problem because the removal by sorption in a waste water treatment plant will be close to what is observed in the waste water treatment simulation test i.e. 4.1% removal.
In the table below, the distribution constants used in this assessment are summarized:
Table:Distribution constants for alkyl-1,3-diaminopropanes
Kpsoil |
520 L.kg-1 |
Ksoil-water |
780 m3.m-3 |
Kpsusp |
1040 L.kg-1 |
Ksusp-water |
261 m3.m-3 |
Kpsed |
520 L.kg-1 |
Ksed-water |
261 m3.m-3 |
With a Kpsuspof 1040 L/kg and a concentration of 15 mg/L suspended matter in surface waters, the adsorbed fraction is calculated as 1.5%.
Based on the ecotoxicity results it is assumed that only a small degree of the R814M salt mixture has not dissociated and will sorb to a similar extend as the oleyl-1,3 -diaminopropane oleate for which also a sorption/desorption test result is available.
The amines in oleyl-1,3 -diaminopropane which form an ionpair with oleic acid are not expected to show ionic interaction with the negatively charged groups in soil.
Sorption/desorption of oleyl-1,3 -diaminopropane oleate
This study reports adsorption and desorption parameters for N-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminum di[(9Z)-octadec-9-enoate], on soil measured according to a refined OECD Guideline no 106; Adsorption – Desorption using the Batch Equilibrium Method, adopted 21 January 2000. Kd, Kocand Kdesvalues have been calculated.
The preliminary test to determine the equilibrium time showed that equilibrium is reached within 24 hours for both the 2.2 soil and the 6S soil. There are only minor changes between the 3 and 24 hours samples. Based on these results, an equilibrium time of 24 hours was applied for the definitive test. The measured equilibrium concentrations in the water phase had an average of 6.8 and 1.6 µg/L respectively and it was decided to increase the starting concentration to about 7 mg/L.
The final sorption test was performed for 24 hours followed by a 48 hours desorption test. The observed Kdvalues in the preliminary and final sorption test agree well. Kd for Speyer 2.2 is 1.5*104 in the preliminary test and 3.3*104 in the final sorption test, a difference of a factor of approximately 2.3. The Kd for Speyer 6S is 6.5*104 and 2.0*104 for the preliminary and final sorption test, respectively.
The recovery for the control sample in the final sorption test was 84%. The recovery of the individual components varies between 81% to 87%.The results are calculated as a sum for all three components (C16’, C18’’ and C18’) individual contribution to the total amount test substance adsorbed and desorbed. When these resultsachieved with different soils are compared it can be noticed that the Kdescorrelates with CEC, pH and clay content, while the organic carbon content of the soils not seems to have a major impact on the desorption of the substance to the soils. Adsorption measured as Kd do not seem to correlate to any individual parameter, this might indicate that it is not the hydrofobicity that is the main driver for adsorption to different soil particles and to glassware.
Table . Comparison between the results and soils
Soil |
Clay (%) |
Silt (%) |
Sand (%) |
CEC (meq/100g) |
pH |
Org C (%) |
Caq (µg/l) |
Kd (104cm3/g) |
Koc (106cm3/g) |
Kdes (104cm3/g) |
Speyer2.2 |
6.4 |
12.2 |
81.4 |
10 |
5.4 |
2.16 |
24.1 |
3.3 |
1.4 |
4.2 |
Eurosoil 4 |
20.3 |
75.7 |
4.1 |
17.3 |
6.8 |
1.31 |
38.9 |
3.8 |
2.9 |
5.9 |
Speyer6S |
42.1 |
36.0 |
21.9 |
22 |
7.2 |
1.75 |
21.0 |
2.0 |
1.1 |
10 |
Because there is as indicated before no principal difference between soil and sediments considering the sorption properties (EU RAR primary alkyl amines, 2008) and because for this substance the degree of sorption is not related to the organic carbon content, the value for soil can also be used for sediment, suspended particles and STP sludge.
In the table below the distribution constants as derived for Oleyl-1,3 -diaminopropane oleate are summarized:
Kpsoil = 30068 L/kg; Ksoil-water = 45102 m3/m3
Kpsusp = 60136 L/kg; Ksusp-water = 15035 m3/m3
Kpsed = 30068 L/kg; Ksed-water = 15035 m3/m3
With a Kpsusp of 60136 L/kg and a concentration of 15 mg/L suspended matter in surface waters, the adsorbed fraction is calculated as 47.5%.
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