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EC number: 238-339-3 | CAS number: 14367-46-5
- 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
- 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, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from Authoritative database.
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using ACD/Adsorption Coefficient (v12.1.0.50374).This particular module provides organic carbon adsorption coefficient (Koc) values over the entire pH scale. Calculations are performed for both neutral and ionic species present at a given pH and utilize predicted values for LogP as well as pKa.Koc values characterize the tendency for a compound to accumulate in soil.
- GLP compliance:
- not specified
- Type of method:
- other: estimated
- Media:
- soil
- Specific details on test material used for the study:
- - Name of test material: N-ethyl-p-methoxy-α-methylphenethylamine
- IUPAC name: N-ethyl-1-(4-methoxyphenyl)propan-2-amine
- Molecular formula: C12H19NO
- Molecular weight: 193.2881 g/mole
- Smiles : CCNC(C)Cc1ccc(OC)cc1
- Inchl: 1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3
- Substance type: Organic
- Physical state: Liquid (Colorless to pale yellow) - Radiolabelling:
- not specified
- Test temperature:
- 25oC
- Analytical monitoring:
- not specified
- Type:
- Koc
- Value:
- 1 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Koc= 0 at pH range 0-7
- Type:
- Koc
- Value:
- >= 1.78 - <= 476 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: log koc range = 0.2504 - 2.6776 at pH range 8-14
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Soil Adsorption Coefficient i.e Koc value of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0.0) at pH range 1-7 and at pH range 8-14 Koc value was estimated to be in range 1.78 - 476 (log Koc= 0.2504 - 2.6776)
- Executive summary:
The Soil Adsorption Coefficient i.e Koc value of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS no. 14367 -46 -5) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0.0) at pH range 1-7 and at pH range 8-14 Koc value was estimated to be in range 1.78 - 476 (log Koc= 0.2504 -2.6776). By considering log Koc value of pH 7 which is log Koc =0 indicates that the test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine has a negligible sorption to soil and therefore has rapid migration potential to groundwater.
Reference
pH = 0.0 ; Koc ~ 1
pH = 1.0 ; Koc ~ 1
pH = 2.0 ; Koc ~ 1
pH = 3.0 ; Koc ~ 1
pH = 4.0 ; Koc ~ 1
pH = 5.0 ; Koc ~ 1
pH = 6.0 ; Koc ~ 1
pH = 7.0 ; Koc ~ 1
pH = 8.0 ; Koc = 1.78 ; log(Koc) = 0.2 ± 1.0
pH = 9.0 ; Koc = 14.0 ; log(Koc) = 1.1 ± 1.0
pH = 10.0 ; Koc = 109 ; log(Koc) = 2.0 ± 1.0
pH = 11.0 ; Koc = 356 ; log(Koc) = 2.6 ± 1.0
pH = 12.0 ; Koc = 460 ; log(Koc) = 2.7 ± 1.0
pH = 13.0 ; Koc = 474 ; log(Koc) = 2.7 ± 1.0
pH = 14.0 ; Koc = 476 ; log(Koc) = 2.7 ± 1.0
Description of key information
The Soil Adsorption Coefficient i.e Koc value of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine(CAS no. 14367 -46 -5) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0.0) at pH range 1-7 and at pH range 8-14 Koc value was estimated to be in range 1.78 - 476 (log Koc= 0.2504 -2.6776). By considering log Koc value of pH 7 which is log Koc =0 indicates that the test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine has a negligible sorption to soil and therefore has rapid migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1
Additional information
Various predicted data studies for target chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No. 14367-46-5) and experimental study for its structurally similar read across chemical have been reviewed for adsorption endpoint and their results are summarized below.
In first predicted data study the Soil Adsorption Coefficient i.e Koc value of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine(CAS no. 14367 -46 -5) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of Advanced Chemistry Development /I-lab predictive module as Koc 1.0 dimensionless (log Koc= 0.0) at pH range 1-7 and at pH range 8-14 Koc value was estimated to be in range 1.78 - 476 (log Koc= 0.2504 -2.6776). By considering log Koc value of pH 7 which is log Koc =0 indicates that the test substanceN-ethyl-1-(4-methoxyphenyl)propan-2-aminehas a negligible sorption to soil and therefore has rapid migration potential to groundwater.
Next study was done by using Sci Finder database the soil adsorption co-efficient i.e., Koc value of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine(CAS no. 14367-46-5) at pH range 1-7 was estimated to be 1.0 dimensionless (log Koc = 0.0) and at pH 8, 9 and 10 Koc value was estimated to be 2.31, 18.2 and 141 dimensionless (Log koc = 0.3636,1.2600, 2.1492) respectively at temperature 25 deg.c. these log Koc values suggest that this test chemical has negligible to slow sorption to soil and sediments and therefore has rapid to moderate migration potential to ground water.
Another prediction was done by Using Chemspider-ACD/Phy chem suite the soil adsorption co-efficient i.e., Koc value of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS no. 14367 -46 -5) was estimated to be 1.0 dimensionless (log Koc= 0) at pH 5.5 and pH 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.
Last study was experimental study done by SSS, 2018 in this study the adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance and calibration graph prepared. The reference substances were xylene, ethylbenzene and toluene having Koc value ranging from 2.369 to 2.649. The Log Koc value was found to be 1.15385 ± 0.0029 at 25°C. The results indicate that the test chemical has negligible sorption to soil and sediment and therefore has rapid migration potential to ground water.
By considering results of all the studies mentioned above it can be concluded that log Koc value of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No. 14367-46-5) is 0.0 dimensionless. This log koc value indicates that test chemical has negligible sorption to soil and sediment and therefore has rapid migration potential to ground water.
[LogKoc: 0.0]
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