Propane, 1,1,2,2,3,3-hexafluoro-1-[(1,2,2-trifluoroethenyl)oxy]-3-(trifluoromethoxy)-

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

January 11, 2007 - January 11, 2007

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Guideline study under GLP with acceptable restriction

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2007

Report date:

2007

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

MV 31

IUPAC Name:

MV 31

Details on test material:

- Name of test material (as cited in study report): MV 31
- Substance type: pure active substance
- Physical state: Colorless, clear liquid
- Analytical purity: 98.97%
- Expiration date of the lot/batch: 31 December 2007
- Storage condition of test material: Refrigerator, 2 -8°C, dark, under inert gas, closed

Study design

HPLC method

Details on study design: HPLC method:

EQUIPMENT:
- Apparatus: HPLC System Agilent 1100 series; HPLC pump G1312 A, Autosampler G1313A:column oven G1316A, degaser G1322A.
- Type, material and dimension of analytical (guard) column: stationary phase: LiChrospher 100 CN 5 µm by Duratec (18304-04); material: stainless steel; dimension: 250 mm x 4.6 mm; Column temperature: 25°C;
- Detection system: UV/VIS detector G1315B by agilent. Detection wavelength at 210 nm (dead time marker and calibration substances), 200 nm (test item);

MOBILE PHASES:
- Type: acetonitrile/distilled water 65:35 (v/v), isocratic elution;
- Experiments with additives carried out on separate columns: no
- pH: Not known
- Solutes for dissolving test and reference substances: dead time marker and calibration substances were dissolved in acetonitrile and diluted in the mobile phase; test substance was dissolved and diluted in the mobile phase.

DETERMINATION OF DEAD TIME:
- Method: by inert substances which are not retained by the column: 22.7 µg of formamide was dissolved in acetonitrile and diluted 0.1 to 1 in the mobile phase and injected twice. The mean dead time of the test system was 3.07 minutes.

REFERENCE SUBSTANCES
- Identity: Acetanilide; Atrazine; Monuron; Triadimenol; Linuron; Pyrazophos; Diclofop-methyl. It is notable that the reference substances are aromatic compounds and/or pesticides. The reference substances are approved for use in the method, but bear little or no structural similarity to the test substance. This is a limitation of the test guideline.

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 3.97 µg
- Quantity of reference substances: 0.84 - 1.59 µg
- Intervals of calibration: None

REPETITIONS
- Number of determinations: Two (duplicate) injections

EVALUATION
- Calculation of capacity factors k': k' = (Tr - T0) / T0, where: Tr = retention time;
T0 = mean column dead time (formamide peak);

- Calculation of retention times: mean retention times were taken for the unretained and test substance retention times only. Retention times for the duplicated injections of the reference substance peaks were used to generate the regression curve.

- Determination of the log Koc value: Linear regression according to calibration curve of the log k of the reference substances as function of log Koc
log Koc = a +b x logk

Results and discussion

Adsorption coefficient

Type:

log Koc

Value:

3.7

Results: HPLC method

Details on results (HPLC method):

- Retention times of reference substances used for calibration: 3.59 - 4.72 min (See table 1)
- Details of fitted regression line (log k' vs. log Koc):
1st measurement: a = 5.75, b = 6.10, r² = 0.9479, log Koc = 3.68
2nd measurement: a = 5.75, b = 6.12, , r² = 0.9483, log Koc = 3.69

- Graph of regression line attached: See Figure 1.
- Average retention data for test substance: 4.48 min.
- Average log Koc for test substance: 3.68

Any other information on results incl. tables

Table 1. Koc determination of MV 31

Substance	Tr,1 [min]	Tr,2 [min]	mean Tr (n=2)	K	Log K	log Koc
Formamide (t0)	3.07	3.07	3.07
Measurement 1
Acetanilide	3.59			0.17	-0.77	1.25
Atrazine	3.83			0.25	-0.60	1.81
Monuron	3.79			0.24	-0.63	1.99
Triadimenol	3.91			0.27	-0.56	2.40
Linuron	4.15			0.35	-0.45	2.49
Pyrazophos	4.32			0.41	-0.39	3.65
Diclofop-methyl	4.71			0.54	-0.27	4.20
	Log Koc = 5.75 +6.10 log K (r² = 0.9479)
MV 31	4.47			0.46	-0.34	3.68
Measurement 2
Acetanilide		3.59		0.17	-0.76	1.25
Atrazine		3.83		0.25	-0.60	1.81
Monuron		3.79		0.24	-0.62	1.99
Triadimenol		3.91		0.28	-0.56	2.40
Linuron		4.15		0.35	-0.45	2.49
Pyrazophos		4.33		0.41	-0.39	3.65
Diclofop-methyl		4.72		0.54	-0.27	4.20
	Log Koc = 5.75 +6.12 log K (r² = 0.9483)
MV 31		4.48		0.46	-0.34	3.69

 

 

Applicant's summary and conclusion

Conclusions:

Log Koc value of test substance was 3.7.

Executive summary:

Log Koc value of MV 31 was assessed according to OECD Guideline TG121 "Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using HPLC". Under the analytical conditions used, the test substance had a log Koc value of 3.7.

The study was conducted according to internationally accepted test guidelines and under GLP compliance. The reference substances are approved for use in the method, but bear little or no structural similarity to the test substance. Therefore, this study is considered as reliable with restrictions.