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EC number: 277-459-0 | CAS number: 73398-89-7
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard test guidelines
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2017
Materials and methods
Test guideline
- 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))
- Principles of method if other than guideline:
- Adsorption coefficient of test chemical 2-Hydroxy-3-(octadecyloxy)propyl stearate; bis{3,6-bis(diethylamino)-9-[2 (methoxycarbonyl)phenyl]xanthenium} tetrachlorozincate(2-) (CAS no. 73398-89-7) was determined by using HPLC method.
- GLP compliance:
- not specified
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- 2-Hydroxy-3-(octadecyloxy)propyl stearate
- IUPAC Name:
- 2-Hydroxy-3-(octadecyloxy)propyl stearate
- Reference substance name:
- 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium tetrachlorozincate
- EC Number:
- 277-459-0
- EC Name:
- 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium tetrachlorozincate
- Cas Number:
- 73398-89-7
- Molecular formula:
- C29H33N2O3.1/2Cl4Zn
- IUPAC Name:
- bis{3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthenium} tetrachlorozincate(2-)
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- - Name of test material (as cited in study report): 2-Hydroxy-3-(octadecyloxy)propyl stearate
- Molecular formula : C29H33N2O3.1/2Cl4Zn
- Molecular weight : 1122.38 g/mol
- Smiles notation : c1c(N(CC)CC)cc2[o+]c3c(c(c4c(cccc4)C(OC)=O)c2c1)ccc(N(CC)CC)c3.[Zn-2](Cl)(Cl)(Cl)Cl.c1c(N(CC)CC)cc2[o+]c3c(c(c4c(cccc4)C(OC)=O)c2c1)ccc(N(CC)CC)c3
- InChl : 1S/2C29H33N2O3.4ClH.Zn/c2*1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;;;;;/h2*10-19H,6-9H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2-Hydroxy-3-(octadecyloxy)propyl stearate
- Molecular formula : C29H33N2O3.1/2Cl4Zn
- Molecular weight : 1122.38 g/mol
- Smiles notation : c1c(N(CC)CC)cc2[o+]c3c(c(c4c(cccc4)C(OC)=O)c2c1)ccc(N(CC)CC)c3.[Zn-2](Cl)(Cl)(Cl)Cl.c1c(N(CC)CC)cc2[o+]c3c(c(c4c(cccc4)C(OC)=O)c2c1)ccc(N(CC)CC)c3
- InChl : 1S/2C29H33N2O3.4ClH.Zn/c2*1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;;;;;/h2*10-19H,6-9H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4
- Batch No./ Lot no. : FG/15-16/1988
- Physical Appearance : Dark violet powder - Radiolabelling:
- no
Study design
- Test temperature:
- 25°C
HPLC method
- Details on study design: HPLC method:
- HPLC Procedure:
The solutions of the test substance and reference substances were prepared in solvent mentioned in 4.3. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(table 3).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.
Operating Conditions:
HPLC Model No. : Agilent Technologies,1260 Infinity
Flow Rate : 1.0ml/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : ACN : water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStationOpen lab Control Panel
Batch equilibrium or other method
- Analytical monitoring:
- not specified
Results and discussion
Adsorption coefficient
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.943 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: other details not specified
Results: HPLC method
- Details on results (HPLC method):
- The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical bis{3,6-bis(diethylamino)-9-[2 (methoxycarbonyl)phenyl]xanthenium} tetrachlorozincate(2-) (CAS no. 73398-89-7). was determined to be 1.943 at 25°C
Results: Batch equilibrium or other method
- Transformation products:
- not specified
Any other information on results incl. tables
Reference substance |
Log Koc |
Rt1 |
Rt2 |
Rt3 |
Mean Rt ± S.D. |
k |
Log k |
Urea |
NA |
0.887 |
0.887 |
0.888 |
0.887±0.001 |
0 |
0 |
Benzoic acidmethylester |
1.8 |
2.585 |
2.61 |
NA |
2.5975±0.018 |
0.1917 |
-0.7175 |
4-methylaniline(p-Tolouidine) |
1.9 |
1.755 |
1.748 |
NA |
1.7515±0.005 |
0.9746 |
-0.0112 |
N-methylaniline |
2.28 |
2.303 |
2.294 |
NA |
2.2985±0.006 |
1.5913 |
0.2018 |
Aniline |
2.07 |
1.513 |
1.495 |
NA |
1.504±0.013 |
0.6956 |
-0.1576 |
Xylene |
2.58 |
6.241 |
6.232 |
NA |
6.2365±0.006 |
6.031 |
0.7804 |
Ethylbenzene |
2.649 |
6.359 |
6.355 |
NA |
6.357±0.003 |
6.1669 |
0.7901 |
Toluene |
2.369 |
4.378 |
4.382 |
NA |
4.38±0.003 |
3.938 |
0.5953 |
Naphthalene |
2.75 |
6.127 |
6.218 |
NA |
6.1725±0.064 |
5.9589 |
0.7752 |
Test substance 3,6-bis(diethylamino)-9-[2- (methoxycarbonyl)phenyl]xanthylium tetrachlorozincate |
K |
Log K |
Log Koc by Generalized Calibration Graph |
Log Koc by Generalized Calibration Graph |
|
Rt1 |
1.315 |
0.483 |
-0.316 |
1.940 |
1.943 ±0.003 |
Rt2 |
1.322 |
0.490 |
-0.309 |
1.945 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Adsorption Coefficient of test substance bis{3,6-bis(diethylamino)-9-[2 (methoxycarbonyl)phenyl]xanthenium} tetrachlorozincate(2-) (CAS no. 73398-89-7) was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 1.943 dimensionless at 25°C. Thus based on the result it is concluded that the test substance bis{3,6-bis(diethylamino)-9-[2 (methoxycarbonyl)phenyl]xanthenium} tetrachlorozincate(2-) has a low sorption to soil and sediment and therefore has modrate migration potential to ground water.
- Executive summary:
The adsorption coefficient Koc in soil and in sewage sludge of test chemical bis{3,6-bis(diethylamino)-9-[2 (methoxycarbonyl)phenyl]xanthenium} tetrachlorozincate(2-) (CAS no. 73398-89-7) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared.
The reference substances were Benzoic acid methylester, 4- methylaniline(p-Tolouidine), N-methylaniline, Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.8 to 2.75.The Log Koc value was determined to be 1.943 dimensionless at 25°C.
Thus based on the result it is concluded that the test substance bis{3,6-bis(diethylamino)-9-[2 (methoxycarbonyl)phenyl]xanthenium} tetrachlorozincate(2-) (CAS no. 73398-89-7)has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.
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