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Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption
Remarks:
adsorption
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:
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: 4-(phenylazo)benzene-1,3-diamine acetate
- IUPAC name: 4-(phenylazo)benzene-1,3-diamine acetate
- Molecular formula: C14H16N4O2
- Molecular weight: 272.306 g/mole
- Smiles : c1(ccc(c(N)c1)\N=N\c1ccccc1)N.C(C)(=O)O
- Inchl: 1S/C12H12N4.C2H4O2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)/b16-15+;
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Test temperature:
25 deg.C
Analytical monitoring:
not specified
Key result
Type:
Koc
Value:
446 L/kg
Temp.:
25 °C
Remarks on result:
other: Log Koc= 2.6493 (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 4-(phenylazo)benzene-1,3-diamine acetate (CAS No. 79234-33-6) was estimated using EPI suite KOCWIN Program (v2.00) as 446 L/kg (log Koc= 2.6493) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 4-(phenylazo)benzene-1,3-diamine acetate has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.
Executive summary:

The Soil Adsorption Coefficient i.e. Koc value of test chemical 4-(phenylazo)benzene-1,3-diamine acetate (CAS No. 79234 -33 -6) was estimated using EPI suite KOCWIN Program (v2.00) as 446 L/kg (log Koc= 2.6493) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical 4-(phenylazo)benzene-1,3-diamine acetate has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

Description of key information

The Soil Adsorption Coefficient i.e. Koc value of test chemical 4-(phenylazo)benzene-1,3-diamine acetate (CAS No. 79234 -33 -6) was estimated using EPI suite KOCWIN Program (v2.00) as 446 L/kg (log Koc= 2.6493) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical 4-(phenylazo)benzene-1,3-diamine acetate has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
446

Additional information

Predicted data study for target chemical 4-(phenylazo)benzene-1,3-diamine acetate (CAS No. 79234 -33 -6) and experimental studies for its structurally similar read across chemicals have been reviewed for adsorption endpoint and their results are summarized below.

 

In a predicted data study the Soil Adsorption Coefficient i.e. Koc value of test chemical 4-(phenylazo)benzene-1,3-diamine acetate (CAS No. 79234 -33 -6) was estimated using EPI suite KOCWIN Program (v2.00) as 446 L/kg (log Koc= 2.6493) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical 4-(phenylazo)benzene-1,3-diamine acetate has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

 

Next study was experimental study done by UERL in this study the adsorption coefficient Koc in soil and in sewage sludge of chemical 4-(phenylazo)benzene-1,3-diamine (CAS No.495 -54-5) 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 functional similarity with the test substance and calibration graph prepared. The reference substances were 4 -methylaniline(p-Tolouidine), Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value was determined to be 2.3244 ± 0.000 at 25°C.

 

Further to support predicted data study for target chemical study was reviewed from authoritative database (HSDB, 2017) in this study the Koc value for read across chemical 4- Phenyldiazenylbenzene-1,3-diamine hydrochloride (CAS no.532 -82 -1) was estimated by using a measured water solubility of 20mg/l and a regression-derived equation. The estimated Koc value was 840 dimensionless and log Koc is 2.9247 this log Koc value suggests that  4- Phenyldiazenylbenzene-1,3-diamine hydrochloride is expected to have moderate sorption to soil and sediment and therefore has slow migration potential to ground water.

 

On the basis of all the studies mentioned above it can be concluded that test chemical 4-(phenylazo)benzene-1,3-diamine acetate has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

[LogKoc: 2.6493]