1-Butanaminium, 4-hydroxy-N,N,N-trimethyl-4-oxo-, inner salt

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption

Remarks:

adsorption/desorption

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2005

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: study performed under GLP and in accordance with Czechian testing methods (similar to OECD-/EU-testing guidelines)

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Data source

Reference

Reference 1

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2005

Reference 2

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: Method XIX Estimation of Absorption Coefficient (KOU) on Soils and on Sewage Sluge by HPLC; Regulation of the Ministry of Enviroment of the Czech Republic No. 222/2004, Annex 2 (identical with Method C.19 of Directive 67/548/EEC).

Deviations:

no

Principles of method if other than guideline:

The calculation was performed by using the EPI-suite software v.4.10. The log Koc estimation (KOCWIN v2.00) is based on the MCI-method)

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

soil

Test material

Test material information

Constituent 1

Details on test material:

- Name of test material (as cited in study report): 4-butyrobetain (BUBET)
- Molecular formula: C7H15NO2
- Molecular weight: 145.20 g/mol
- Physical state: colourless solution

Radiolabelling:

no

Study design

Test temperature:

25°C

HPLC method

Details on study design: HPLC method:

- Apparatus Shimadzu LC-2010 AHT
- Column: ZORBAX CN, 5 um, 150 x 4.6 mm
- Mobile Phase: isocratic elution - 0.005M citrate buffer pH = 6,0 / 50% (v/v) Methanol/Water
- Detection: 210 nm (test item and NaNO3) and 240 nm (reference item)
- Flow rate: 1.0 ml/min
- Injection: 5 ul
- Temperature: 25°C

Batch equilibrium or other method

Analytical monitoring:

yes

Details on matrix:

Sodium nitrate solution:
19 mg NaNO3 were weighed in a 25 ml graduated flask and sissolved with mobile phase. The solution was further diluted 10 x (5 ml/ 50 ml)

Reference substance solution:
The above listed reference substances were weighed in 25 ml volumetric flask and dissolved with methanol:
- Acetanilide 25 mg
- Aniline 25 mg
- Atrazin 26 mg
- Benzamide 24 mg
- 2,5-Dichloraniline 25 mg
- Phenylbenzoate 24 mg
- 2-Nitrobenzamide 24 mg

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

log Koc

Value:

< 1.5

Temp.:

25 °C

Remarks on result:

other: soil (pH = 6)

Adsorption coefficient 2

Type:

log Koc

Value:

< 1.5

Temp.:

25 °C

Remarks on result:

other: sewage sludge (pH = 6)

Results: HPLC method

Details on results (HPLC method):

see above

Any other information on results incl. tables

Results of Soil Adsorption Coefficient Estimation (KOCWIN v2.00) for pure material:

- Koc : 2.669 L/kg (MCI method)

- Log Koc: 0.426 (MCI method)

- Koc : 0.007651 L/kg (Kow method)

- Log Koc: -2.116 (Kow method)

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The Log Koc of the aqueous solution was determined to be < 1.5 at 25°C. An estimation of the log Koc for the pure material resulted in a value of 0.426 and -2.116, depending on the method.

Executive summary:

The test with the aqueous solution was performed 2005 under GLP according to the Czechian testing method 1.4.2 (similar to method A.4 of Directive 67/548/EEC). The calculation was done in 2011 using the EPI-Suite software v4.10.