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EC number: 224-292-6 | CAS number: 4292-10-8
- 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:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 30.03.2006
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- In deviation from guideline only 4 reference substances were used.
- 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:
- yes
- Remarks:
- (only four reference substances used)
- GLP compliance:
- not specified
- Remarks:
- used in a weight-of-evidence approach
- Type of method:
- HPLC estimation method
- Media:
- soil
- Test temperature:
- 22°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC
- Type: not reported
- Type, material and dimension of analytical (guard) column: a 125.4 mm Lichrospher 100 CN 5µ
- Detection system: RI
MOBILE PHASES
- Type: methanol/aqueous citrate buffer pH 6 (55:45)
- Experiments with additives carried out on separate columns: yes
- pH: 6
- Solutes for dissolving test and reference substances: not reported
DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column: dead time was determined by injecing acetonitrile in water (dead time: 1.39 min)
REFERENCE SUBSTANCES
- Identity:
methyl benzoate (log Koc=1.8)
naphthaline (log Koc=2.75)
phenanthrene (log Koc=4.09)
phenyl benzoate (log Koc=2.94
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 2 mg/mL of the test substance (dodecyl amido propylbetaine: ca. 1.5 mg/mL, tetradecyl amido propylbetaine: ca. 0.5 mg/mL
- Quantity of reference substances: ca. 2 mg/mL
- Intervals of calibration: <1h
REPETITIONS
- Number of determinations: not reported
EVALUATION
- Calculation of capacity factors k': the capacity feactors were calculated from the dead time and the retention times
- Determination of the log Koc value: log K'=0.3691 log Koc - 0.7345 - Type:
- Koc
- Remarks:
- C12 derivate
- Value:
- ca. 320 L/kg
- Temp.:
- 20 °C
- Type:
- log Koc
- Remarks:
- C12 derivate
- Value:
- 2.5 dimensionless
- Temp.:
- 20 °C
- Validity criteria fulfilled:
- yes
- Conclusions:
- Based on the experimental results (log Koc=2.5; Koc: ca. 320) a medium sorption onto soil organic matter is to be expected for C12 AAPB.
- Executive summary:
In a screening study conducted according to OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)) the log Koc value of C12 AAPB was determined to be 2.5 (Koc: ca. 320) based on a corrected dead time value. Based on this result and taking into account the classification scheme of Blume and Ahlsdorf (1993) a medium sorption onto soil organic matter is to be expected.
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 30.03.2006
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- In deviation from guideline only 4 reference substances were used.
- 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:
- yes
- Remarks:
- (only four reference substances used)
- GLP compliance:
- not specified
- Remarks:
- used in a weight-of-evidence approach
- Type of method:
- HPLC estimation method
- Media:
- soil
- Test temperature:
- 22°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC
- Type: not reported
- Type, material and dimension of analytical (guard) column: a 125.4 mm Lichrospher 100 CN 5µ
- Detection system: RI
MOBILE PHASES
- Type: methanol/aqueous citrate buffer pH 6 (55:45)
- Experiments with additives carried out on separate columns: yes
- pH: 6
- Solutes for dissolving test and reference substances: not reported
DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column: dead time was determined by injecing acetonitrile in water (dead time: 1.39 min)
REFERENCE SUBSTANCES
- Identity:
methyl benzoate (log Koc=1.8)
naphthaline (log Koc=2.75)
phenanthrene (log Koc=4.09)
phenyl benzoate (log Koc=2.94
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 2 mg/mL of the test substance (dodecyl amido propylbetaine: ca. 1.5 mg/mL, tetradecyl amido propylbetaine: ca. 0.5 mg/mL
- Quantity of reference substances: ca. 2 mg/mL
- Intervals of calibration: <1h
REPETITIONS
- Number of determinations: not reported
EVALUATION
- Calculation of capacity factors k': the capacity feactors were calculated from the dead time and the retention times
- Determination of the log Koc value: log K'=0.3691 log Koc - 0.7345 - Type:
- Koc
- Remarks:
- C14 derivate
- Value:
- ca. 3 200 L/kg
- Temp.:
- 20 °C
- Type:
- log Koc
- Remarks:
- C14 derivate
- Value:
- 3.5 dimensionless
- Temp.:
- 20 °C
- Validity criteria fulfilled:
- yes
- Conclusions:
- The soil sorption coefficients (log Koc) of C14 AAPB was determined to be 3.5. Based on this result a high sorption onto soil organic matter is to be expected.
- Executive summary:
In a screening study conducted according to OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)) the log Koc values of C12 AAPB and C14 AAPB were determined. Based on a corrected dead time value (see Erratum), the log Koc of C14 AAPB was determined to be 3.5 (Koc: ca. 3200). Based on this result and taking into account the classification scheme of Blume and Ahlsdorf (1993) a high sorption onto soil organic matter is to be expected.
Referenceopen allclose all
In a screening study conducted according to OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)) the log Koc value of C12 AAPB was determined to be 2.5 (Koc: ca. 320) based on a corrected dead time value. Based on this result and taking into account the classification scheme of Blume and Ahlsdorf (1993) a medium sorption onto soil organic matter is to be expected.
Description of key information
Reliable experimental results for Koc are available only for C12 and C14 AAPB from a non-GLP study. Therefore in addition, for all components of C8-18 AAPB soil sorption coefficients were calculated using ACD and EUSES. The weighted mean Koc and log Koc were calculated according to weight fractions of fatty acid chain length distribution, resulting in a weighted mean Koc of 8191 L/kg and a mean log Koc of 3.91.
Key value for chemical safety assessment
- Koc at 20 °C:
- 8 191
Other adsorption coefficients
- Type:
- log Kp (solids-water in soil)
- Value in L/kg:
- 1.16
- at the temperature of:
- 25 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in sediment)
- Value in L/kg:
- 1.56
- at the temperature of:
- 25 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in suspended matter)
- Value in L/kg:
- 1.86
- at the temperature of:
- 25 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in raw sewage sludge)
- Value in L/kg:
- 2.33
- at the temperature of:
- 25 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in settled sewage sludge)
- Value in L/kg:
- 2.33
- at the temperature of:
- 25 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in activated sewage sludge)
- Value in L/kg:
- 2.43
- at the temperature of:
- 25 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in effluent sewage sludge)
- Value in L/kg:
- 2.43
- at the temperature of:
- 25 °C
Additional information
A weight of evidence approach was used for evaluation, as the experimental determined values are used as training structure for the ACD calculated values.
In a screening study conducted according to OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)) the log Koc values of C12 and C14 AAPB were determined. Based on a corrected dead time value, the log Koc of C12 and C14 AAPB were determined to be 2.5 (Koc: ca. 320; C12 derivate) and 3.5 (Koc: ca. 3200; C14 derivate), respectively. Based on these results and taking into account the classification scheme of Blume and Ahlsdorf (1993) a medium (C12 derivate) and high sorption (C14 derivate) onto soil organic matter is to be expected.
Based on the Koc value determined by measurement, C12 AAPB was used as training structure for the ACD software and Kow values were calculated for C8, C10, C14, C16 and C18 AAPB (for this calculation to the IUCLID the following justification documents are attached: QSAR prediction report format (QPRF) and QSAR model reporting format (QMRF)). The soil sorption coefficient of AAPB containing C8-, C10-, C12-, C14-, C16-, and C18 fatty acids was calculated using the guideline conform EUSES algorithm for non hydrophobics. The calculation yielded Koc values of 89.3 (C8 derivate), 303 (C10 derivate), 726 (C12 derivate), 4870 (C14 derivate), 16500 (C16 derivate), and 56000 (C18 derivate). According to the classification scheme of Blume & Ahlsdorf (1993), a low (C8 derivate), medium (C10 derivate), high (C12 and C14 derivates), and very high (C16 and C18 derivates) sorption onto soil organic matter is to be expected.
As reported in HERA (2007), the Koc values for AAPB containing C8-, C10-, C12-, C14-, C16-, and C18 fatty acids were calculated using EPIWIN v3.11, PCKOCWIN v1.67. The calculation yielded Koc values of 264.7 (C8 derivate), 900.5 (C10 derivate), 3063 (C12 derivate), 10420 (C14 derivate), 35450 (C16 derivate), and 120600 (C18 derivate). According to the classification scheme of Litz (1990) these values indicate a low to very high sorption potential to the organic matter of soils and sediments depending on the chain length.
Based on the experimental determined Koc values of C12 and C14 AAPB, the Koc values calculated with EPIWIN seem to overestimate soil sorption. The values calculated with ACD/EUSES (reasoned in separate documents (QPRF, QMRF attached to IUCLID)) Koc and Kow values were used for further calculations (environmental exposure and risk assessment).
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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