Registration Dossier
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EC number: 204-320-3 | CAS number: 119-40-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimation Programs Interface Suite by US EPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- KOCWIN Program (v2.00).
- GLP compliance:
- no
- Type of method:
- other: Log Kow method
- Media:
- soil
- Radiolabelling:
- not specified
- Test temperature:
- 25 deg C
- Analytical monitoring:
- not specified
- Type:
- Koc
- Value:
- 33.84
- Temp.:
- 25 °C
- Remarks on result:
- other: log KOC=1.5294 (Koc Estimate from Log Kow)
- Conclusions:
- The Soil Adsorption Coefficient i.e Koc value of 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid was estimated using EPI suite KOCWIN Program (v2.00) program as Koc33.84 L/kg(log Koc=1.5294) Estimate from Log Kow at 25 deg.C. This Koc value indicates that the substance 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid has a Negligible sorption to soil and sediment along with rapid migration potential to groundwater.
- Executive summary:
The Soil Adsorption Coefficient i.e Koc value of 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid was estimated using EPI suite KOCWIN Program (v2.00) program as Koc33.84 L/kg(log Koc=1.5294) Estimate from Log Kow at 25 deg.C. This Koc value indicates that the substance 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid has a Negligible sorption to soil and sediment along with rapid migration potential to groundwater.
Reference
KOCWIN Program (v2.00) Results:
==============================
SMILES : O=S(=O)(O)c(cc(O)c(c1cc(Nc(cccc2)c2)c3)c3)c1
CHEM : 2-Naphthalenesulfonic acid, 4-hydroxy-7-(phenylamino)
- MOL FOR: C16 H13 N1 O4 S1 Koc may be sensitive to pH!
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 0.83
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 1.3842
Fragment Correction(s):
1 Nitrogen to non-fused aromatic ring ... : -0.0216
1 Sulfonic acid (-S(=O)-OH) ............. : 0.0000
1 Aromatic Hydroxy (aromatic-OH) ....... : 0.1668
Corrected Log Koc .................................. : 1.5294
Estimated Koc: 33.84 L/kg
Description of key information
The Soil Adsorption Coefficient i.e Koc value of 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid was estimated using EPI suite KOCWIN Program (v2.00) program as Koc33.84 L/kg(log Koc=1.5294) Estimate from Log Kow at 25 deg.C. This Koc value indicates that the substance 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid has a Negligible sorption to soil and sediment along with rapid migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 33.84
Additional information
Experimental and Predicted data of adsorption endpoint for the target chemical 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid (Cas no. 119-40-4) and its read across chemical were reviewed to summarize as follows:
Predicted model Estimation Programs Interface Suite™; 2016 indicate that the Soil Adsorption Coefficient i.e Koc value of 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid was estimated using EPI suite KOCWIN Program (v2.00) program as Koc33.84 L/kg(log Koc=1.5294) Estimate from Log Kow at 25 deg.C. This Koc value indicates that the substance 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid has a negligible sorption to soil and sediment along with rapid migration potential to groundwater.
Another predicted model i.e Chemspider - ACD/PhysChem Suite indicate that the soil adsorption coefficient i.e Koc value of test substance 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid was estimated to be 0 L/Kg at pH 5.5 and 7.4.
This Koc value indicates the test substance 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid is highly mobile in soil.
Whereas from HSDB database the adsorption coefficient (Koc) of read across substance ORANGE G(Cas no. 1936-15-8) was found to be 0 using an estimated log Kow of -4.56 and a regression-derived equation.This Koc value suggests that C.I. ORANGE G will have very high mobility in soil.
Thus based on the above all studies it is concluded that the test substance 7-Anilino-4-hydroxynaphthalene-2-sulphonic acid (Cas no. 119-40-4) negligible sorption to soil and sediment along with rapid migration potential to groundwater i.e substance have high mobility in soil.
[LogKoc: 1.5294]
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