Registration Dossier
Registration Dossier
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EC number: 281-638-9 | CAS number: 84000-82-8
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- 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 computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction done using KOCWIN Program (v2.00)
- GLP compliance:
- not specified
- Type of method:
- other: MCI Method
- Media:
- soil
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate
- Common name: 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate
- Molecular formula: C18H21N6.C2H3O2
- Molecular weight: 380.4496 g/mol
- Smiles notation: CC(=O)[O-].Cn1cn[n+](c1/N=N/c2ccc(cc2)N(C)Cc3ccccc3)C
- InChl: 1S/C18H21N6.C2H4O2/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-2(3)4/h4-12,14H,13H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
- Substance type: Organic - Radiolabelling:
- not specified
- Test temperature:
- 25 deg.C
- Analytical monitoring:
- not specified
- Key result
- Type:
- Koc
- Value:
- 2 020 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Koc= 3.3053 (estimated by MCI method)
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No.84000-82-8) was estimated using EPI suite KOCWIN Program (v2.00) as 2.02E L/kg (log Koc= 3.3053) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate has negligible sorption to soil and therefore test chemical Moderate sorption to soils and sediment, slow migration potential to ground water.
- Executive summary:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No.84000-82-8) was estimated using EPI suite KOCWIN Program (v2.00) as 2.02E L/kg (log Koc= 3.3053) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate has negligible sorption to soil and therefore test chemical Moderate sorption to soils and sediment, slow migration potential to ground water.
Reference
Description of key information
Adsorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No.84000-82-8) was estimated using EPI suite KOCWIN Program (v2.00) as 2.02E3 L/kg (log Koc= 3.3053) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate has negligible sorption to soil and therefore test chemical Moderate sorption to soils and sediment, slow migration potential to ground water.
Key value for chemical safety assessment
- Koc at 20 °C:
- 2 020
Additional information
Adsorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No.84000-82-8) was estimated using EPI suite KOCWIN Program (v2.00) as 2.02E L/kg (log Koc= 3.3053) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate has negligible sorption to soil and therefore test chemical Moderate sorption to soils and sediment, slow migration potential to ground water.
On the basis of above results for target chemical1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate( EPI suite, 2017) , it can be concluded that the test substance1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetatecan be expected to has negligible sorption to soil and therefore test chemical Moderate sorption to soils and sediment, slow migration potential to ground water..
[LogKoc: 3.3053]
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