Registration Dossier
Registration Dossier
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EC number: 215-523-1 | CAS number: 1328-51-4 This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 74180.
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite model developed by the USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Estimation done using KOCWIN Program (v2.00)
- GLP compliance:
- no
- Type of method:
- other: MCI Method
- Media:
- soil
- Specific details on test material used for the study:
- - Name of test material: Disulfo copper phthalocyanine amine salt
- Molecular formula: C32H14CuN8O6S2.2Na
- Molecular weight: 780.1706 g/mol
- Smiles notation: c1ccc\2c(c1)/c/3n/c-4n/c(n\c5c6c(cccc6S(=O)(=O)[O-])c/7n5[Cu]n3/c2n\c-8n/c(n7)/c9c8c(ccc9)S(=O)(=O)[O-])/c1c4cccc1.[Na+].[Na+]
- InChl: 1S/C32H16N8O6S2.Cu.2Na/c41-47(42,43)21-13-5-11-19-23(21)31-37-27-17-9-3-1-7-15(17)25(34-27)33-26-16-8-2-4-10-18(16)28(35-26)38-32-24-20(30(40-32)36-29(19)39-31)12-6-14-22(24)48(44,45)46;;;/h1-14H,(H2-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46);;;/q-2;+2;2*+1/p-2
- Substance type: Organic
- Physical state: solid - Radiolabelling:
- not specified
- Test temperature:
- 25 deg.C
- Analytical monitoring:
- not specified
- Key result
- Type:
- Koc
- Value:
- 10 000 000 000 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Log koc=10 (Estimated via MCI method)
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Soil Adsorption Coefficient i.e Koc value of Disulfo copper phthalocyanine amine salt was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 10000000000 L/kg(log Koc=10) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Disulfo copper phthalocyanine amine salt has a Very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
- Executive summary:
The Soil Adsorption Coefficient i.e Koc value of Disulfo copper phthalocyanine amine salt was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 10000000000 L/kg(log Koc=10) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Disulfo copper phthalocyanine amine salt has a Very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Reference
KOCWIN Program (v2.00) Results:
==============================
SMILES : c19c2ccccc2c(n1)N=C3c4ccccc4C(=N3)N=C5c6ccccc6C(N5)=NC(=N7)c8ccccc8C7
=N9
CHEM : 29H,31H-Phthalocyanine
MOL FOR: C32 H18 N8
MOL WT : 514.55
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 19.798
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 10.9205
Fragment Correction(s):
2 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.4255
Corrected Log Koc .................................. : 10.4950
Estimated Koc: 1e+010 L/kg
Description of key information
The Soil Adsorption Coefficient i.e Koc value of Disulfo copper phthalocyanine amine salt was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 10000000000 L/kg(log Koc=10) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Disulfo copper phthalocyanine amine salt has a Very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 10 000 000 000
Additional information
The Soil Adsorption Coefficient i.e Koc value of Disulfo copper phthalocyanine amine salt was estimated using EPI suite KOCWIN Program (v2.00) program as Koc 10000000000 L/kg(log Koc=10) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Disulfo copper phthalocyanine amine salt has a Very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
[LogKoc: 10.0]
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