2,4-dimethyl-4-phenyltetrahydrofuran

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21 June 2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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))

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

Statement of GLP compliance signed on 8 February 2011

Type of method:

HPLC estimation method

Test temperature:

35 °C

Details on study design: HPLC method:

EQUIPMENT
- Apparatus:
Perkin Elmer (series 200) HPLC system comprising:
- a high pressure pump (module N2910102, serial number: 291N8051901A)
- an auto-sampler (module N2930100, serial number: 293N8052404A)
- a column compartment (module N2601581, serial number: OVH0802151130)
- Type, material and dimension of analytical (guard) column: 250 mm x 4.6 mm, Nucleodur® 100-5 CN-RP (Macherey-Nagel) serial number: N10080027, batch 34518023
- Detection system: - a refractive index detector (series 200a, serial number 125829).

MOBILE PHASES
- Type: methanol /water 55/45 (v/v))

- Flow rate: 1.0 ml/min.
- Column temperature: 35 °C
- Injected volume 100 pl

Key result

Type:

log Koc

Value:

2.78 dimensionless

Temp.:

35 °C

Table 5.4.1/1: K_OCPARTITION COEFFICIENT DETERMINATION BY REVERSE-PHASE HPLC

REFERENCE SUBSTANCES	log KOC	tR1	tR2	tRm	k	log k
Formamide		3.307	3.317	3.31
2-Nitrobenzamide	1.45	3.628	3.625	3.63	0.095	-1.022
Methyl benzoate	1.80	4.543	4.538	4.54	0.371	-0.431
Naphthalene	2.75	6.065	6.061	6.06	0.831	-0.081
1,2,3-Trichlorbenzene	3.16	6.593	6.591	6.59	0.990	-0.004
Phenanthrene	4.09	8.744	8.734	8.74	1.639	0.214
4,4‘-DDT	5.63	16.111	16.131	16.12	3.867	0.587
Test substance	2.78	5.112	5.109	5.111	0.5430	-0.2652

 

tR1, tR2, tRm:

retention times (1rst measurement, 2nd measurement, average)

k = (tR/t0)-1: capacity factor

t0: "dead time", i.e. retention time of formamide

Linear regression parameters: log K_OC= a * log k + b

Correlation coefficient r = 0.9365 a = 2.6055 b = 3.4663

Conclusions:

The Adsorption coefficient (KOC) on soil and on sewage sludge of test substance was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines No. 121. Test substance shows one peak at an average retention time of 5.111 minutes, corresponding to an adsorption coefficient (log value) of 2.78. Adsorption coefficients (KOC) of test substance is log KOC= 2.78

Executive summary:

The Adsorption coefficient (K_OC) on soil and on sewage sludge of test substance was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines No. 121.

 

After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice and the calibration mixture again.

 

Retention times IR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship

log K_OC= f (log K)

were also calculated from the data obtained with the calibration mixture and, therewith, log K_OCof the test substance was determined from its measured capacity factor. Finally, solutions of the reference substances were injected individually to confirm the peak assignment.

 

Six substances (Formamide, 2-Nitrobenzamide, Methyl benzoate, Naphthalene, 1,2,3-Trichlorbenzene, Phenanthrene and 4,4‘-DDT) were chosen having log K_OC ranging from 1.45 to 5.63. Formamide is used as an unretained compound for the determination of the "dead time" t0.

 

Test substance shows one peak at an average retention time of 5.111 minutes, corresponding to an adsorption coefficient (log value) of 2.78. Adsorption coefficients (K_OC) of test substance is log K_OC= 2.78.

Description of key information

OECD Guideline 121,  GLP, key study, validity 1:

Koc = 603; log Koc = 2.78.

Low mobility in soils (according to P.J. McCall et al., 1981).

 

¹McCall P.J., Laskowski D.A., Swann R.L., and Dishburger H.J., (1981), “Measurement of sorption coefficients of organic chemicals and their use, in environmental fate analysis”, in Test Protocols for Environmental Fate and Movement of Toxicants. Proceedings of AOAC Symposium, AOAC,

Key value for chemical safety assessment

Koc at 20 °C:

603

Additional information

To assess the adsorption potential of the registered substance, one key experimental study is available.

This study (Givaudan, 2013) was performed on the registered substance according to OECD Guideline 121  under GLP. According to this study, the adsorption coefficient of the registered substance was determined at 603, corresponding to a log Koc value at 2.78. The result indicates that the substance is low mobile in soils (according to P.J. McCall et al., 1981¹).

 

¹McCall P.J., Laskowski D.A., Swann R.L., and Dishburger H.J., (1981), “Measurement of sorption coefficients of organic chemicals and their use, in environmental fate analysis”, in Test Protocols for Environmental Fate and Movement of Toxicants. Proceedings of AOAC Symposium, AOAC, Washington DC.

 

Mobility classification scheme:

Range of Koc	Mobility class
0 - 50	Very high
50 - 150	High
150 - 500	Medium
500 - 2000	Low
2000 - 5000	Slightly
> 5000	Immobile