1,4-dithiane-2,5-diol

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2004-07-02 to 2004-11-25

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2005

Report date:

2005

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))

Version / remarks:

22 January 2001

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

other: please refer to details of method

Test material

Test material information

Constituent 1

Reference substance name:

1,4-dithiane-2,5-diol

EC Number:

254-751-6

EC Name:

1,4-dithiane-2,5-diol

Cas Number:

40018-26-6

Molecular formula:

C4H8O2S2

IUPAC Name:

1,4-dithiane-2,5-diol

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: approximately 4°C, in the dark

Radiolabelling:

no

Study design

Test temperature:

Column temperature: 30°C

HPLC method

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Agilent Technologies 1050/1100, incorporating autosampler and workstation
- Type, material and dimension of analytical (guard) column: Phenosphere-NEXT 5µ CN (250 x 4.6 mm id)
- Detection system: UV detector, wavelength: dead time and reference standards: 210 nm; sample: 260 nm

MOBILE PHASES
- Type: methanol:water (55:45 v/v)
- Solutes for dissolving test and reference substances: methanol

DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity* ≥99.5%, 685 mg/L solution in methanol). *value quoted by supplier

REFERENCE SUBSTANCES
Standard Purity (%)* Concentration (mg/L)
Acetanilide ~99 106
Phenol 99.99 223
Atrazine 99.2 100
Isoproturon 99.9 200
Triadimenol 98.5 146
Linuron 99 115
Naphthalene ≥99.0 109
Endosulfan-diol 99.9 101
Fenthion 96 144
α-Endosulfan 99.8 109
Phenanthrene ≥97.0 104
Diclofop-methyl 99.3 107
DDT 98 253

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: Injection volume: 25 µL
- Quantity of reference substances: Injection volume: 25 µL


REPETITIONS
- Number of determinations: The sample, formamide and reference standard solutions were injected in duplicate

EVALUATION
- Calculation of capacity factors k': The capacity factor was calculated using: k = (tr-t0)/t0 ; where: k=capacity factor, r=retention time (min), t0=dead time (min)
- Determination of the logKoc value: A calibration curve was constructed from the retention time data of the formamide and reference standard solutions; the logKoc value was determined with reference to the calibration curve

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Key result

Sample No.:

#1

Type:

log Koc

Value:

< -1.25 dimensionless

pH:

7

Temp.:

30 °C

Matrix:

column matrix

Adsorption coefficient 2

Key result

Sample No.:

#2

Type:

log Koc

Value:

< -1.25 dimensionless

pH:

7

Temp.:

30 °C

Matrix:

column matrix

Adsorption coefficient 3

Key result

Type:

Koc

Value:

< 17.8 dimensionless

pH:

7

Temp.:

30

Matrix:

column matrix

Results: HPLC method

Details on results (HPLC method):

- Retention times of reference substances used for calibration:
Standard / Mean Retention time (mins)
Acetanilide / 3.942
Phenol / 3.877
Atrazine / 4.594
Isoproturon / 4.928
Triadimenol / 5.919
Linuron / 6.02
Naphthalene / 6.541
Endosulfan-diol/ 7.481
Fenthion / 9.238
α-Endosulfan / 15.558
Phenanthrene/ 11.091
Diclofop-methyl/ 14.515
DDT / 45.304
- Average retention data for test substance: 3.462 - 3.465 mins

Any other information on results incl. tables

Adsorption coefficient of sample

The retention times, capacity factors and logKoc values determined for the sample are shown in the following table:

Injection	Retention Time (mins)	Capacity Factor (k)	Log10k	Log10Koc
1	3.465	9.17 x 10^-2	-1.04	<1.25
2	3.462	9.07 x 10^-2	-1.04	<1.25

 

Log10Koc:                            <1.25

Adsorption coefficient:        <17.8

Applicant's summary and conclusion

Validity criteria fulfilled:

not specified

Conclusions:

The adsorption coefficient (Koc) of the test material has been determined to be <17.8, log10 Koc <1.25.