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EC number: 212-216-4 | CAS number: 770-05-8
- 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:
- key study
- Study period:
- 02-Jul-2018 to 25-Feb-2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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:
- None of the deviations were considered to have impacted the overall integrity of the study or the interpretation of the study results and conclusions.
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- soil
- Specific details on test material used for the study:
- Identification: Octopamine hydrochloride
Batch (Lot) Number: D151-1710037
Physical Description: White to off white powder (determined by Charles River Den Bosch)
Storage Conditions:
Stable under storage conditions until: At room temperature protected from light
26 October 2019 (retest date) - Radiolabelling:
- not specified
- Test temperature:
- 35°C +/- 1°C
- Details on study design: HPLC method:
- The principle of the test method is similar to that of the OECD guideline no. 117: "Partition coefficient (n-octanol/water), high performance liquid chromatography (HPLC) method". While passing through the column along with the mobile phase the test item interacts with the stationary phase. As a result of partitioning between mobile and stationary phases, the test item is retarded. The dual composition of a cyanopropyl stationary phase, having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between the retention time on the column and the Koc on organic matter to be established.
According to the guidelines, the determination of the Koc for test items that are ionized for at least 10% within pH 5.5 to 7.5 should be performed with both the ionized and non-ionized form. Therefore, the pKa values of the test item were calculated using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International San Francisco, CA, USA). Based on the calculations, the HPLC method was performed at neutral pH 7.5.
Solutions of reference substances with known log Koc values based on soil adsorption data and the test item were analyzed. The capacity factor (k') of each compound was calculated from its retention time. The log k’ values of the references substances were plotted against the known log Koc values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The coefficient of correlation (r) was calculated. The log Koc value for the test item was calculated by substituting its mean log k’ in the calibration curve. The value of log Koc obtained from duplicate measurements was within +/- 0.25 log units. - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Remarks:
- Main Peak
- Value:
- ca. 2.81
- pH:
- 7.5
- Temp.:
- 35 °C
- Details on results (HPLC method):
- pKa Values
The pKa values in the logarithm range of 1 - 14 for acidic and basic groups in the molecular structure of the test item were calculated using the Perrin calculation method. The results are given in Table 18.
Table 18
pKa Values of the Test Item
Acidic Basic
Phenol pKa 9.6 RCH2NH3+ pKa 10.2
Koc HPLC Method
In the chromatogram of the test solution, one major peak and several small test item peaks were observed.
The equation of the regression line was: log k’ = 0.307 ´ log Koc – 0.877 (r = 0.98, n = 16).
Table 19
Koc of the Test Item
Substance Retention time (min) log Koc Koc Peak area
(%)
tr,1 tr,2 mean
Formamide (t0) 0.704 0.703 0.704
Acetanilide 0.892 0.891 1.26
Monuron 1.073 1.072 1.99
2,5-Dichloroaniline 1.187 1.187 2.55
Naphthalene 1.374 1.375 2.75
Benzoic acid phenylester 1.616 1.616 2.87
Fenthion 2.029 2.031 3.31
Phenanthrene 2.254 2.254 4.09
4,4’-DDT 4.965 4.957 5.63
Test item – major peak 1.381 1.381 1.381 2.81 6.4 x 10e2 99.8
Test item – peak 2 2.326 2.331 2.329 4.05 1.1 x 10e4 0.076
Test item – peak 3 2.621 2.626 2.624 4.28 1.9 x 10e4 0.096 - Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of Octopamine hydrochloride.
The Koc and log Koc values of the test item at pH 7.5 were:
Koc log Koc Peak area(%)
Test item – major peak 6.4 x 10e2 2.81 99.8
Test item – peak 2 1.1 x 10e4 4.05 0.076
Test item – peak 3 1.9 x 10e4 4.28 0.096 - Executive summary:
The objective of this study was to determine physico-chemical properties for Octopamine hydrochloride.
The summary of the results is listed below: Adsorption coefficient EC C.19 OECD 121 log Kocat pH 7.5 :2.81 (major peak) HPLC method based on soil-adsorption-reference data listed below:
Information Guideline(s) Result Comment
Information
Guideline(s)
Result
Comment
Adsorption coefficient
EC C.19
OECD 121log Kocat pH 7.5 :2.81 (major peak)
HPLC method based on soil-adsorption-reference data
Reference
Description of key information
The Adsorption coefficient for the substance determined in acordance with EC C.19 OECD 121 was log Koc=2.81 (major peak)
at pH 7.5 by HPLC method based on soil-adsorption-reference data.
Key value for chemical safety assessment
- Koc at 20 °C:
- 640
Additional information
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