Reaction Products of C4 alcohols and C4 alkenes obtained as by-products from the manufacturing of butan-2-ol by sulfuric acid esterification and hydrolysis of butene

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Testing was conducted between 17 December 2009 and 08 April 2010.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

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))

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

other: Not applicable

Test material

Test material information

Constituent 1

Reference substance name:

Reaction Products of C4 alcohols and C4 alkenes obtained as by-products from the manufacturing of butan-2-ol by sulfuric acid esterification and hydrolysis of butene

EC Number:

701-242-6

Molecular formula:

A complex and variable combination of C4 hydrocarbons, 2,2'-oxybisbutane and butan-2-ol.

IUPAC Name:

Reaction Products of C4 alcohols and C4 alkenes obtained as by-products from the manufacturing of butan-2-ol by sulfuric acid esterification and hydrolysis of butene

Radiolabelling:

no

Study design

Test temperature:

HPLC column maintained at 35°C by thermostatically controlled column heater. Note overall result is independent of test temperature as all values relative to literature values of calibration standards only.

HPLC method

Details on study design: HPLC method:

Please see any other information on materials and method section.
Due to the nature and tabular content of this information it would be rendered less comprehensible by splitting this information between sections.

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

Koc

Value:

17.8 - 925

Remarks on result:

other: Lower value is a limit value, i.e. <17.8

Adsorption coefficient 2

Type:

log Koc

Value:

1.25 - 2.97

Remarks on result:

other: Lower value is a limit value, i.e. <1.25

Results: HPLC method

Details on results (HPLC method):

Please see any other information on Results and method section.
Due to the nature and tabular content of this information it would be rendered less comprehensible by splitting this information between sections.

Results: Batch equilibrium or other method

Transformation products:

not measured

Any other information on results incl. tables

Calibration

The retention times of formamide and the retention times, capacity factors (k) and log₁₀ K_ocvalues for the reference standards are shown in the two following tables:

Dead Time	Retention Time (mins)		Mean Retention Time (mins)
	Injection 1	Injection 2
Formamide	2.158	2.162	2.160

Standard	Retention Time (mins)		Mean Retention Time (mins)	Capacity Factor (k)	Log10k	Log10Koc
	Injection 1	Injection 2
Acetanilide	2.704	2.704	2.704	0.252	-0.599	1.25
Phenol	2.754	2.756	2.755	0.275	-0.560	1.32
Atrazine	3.084	3.090	3.087	0.429	-0.367	1.81
Isoproturon	3.321	3.327	3.324	0.539	-0.269	1.86
Triadimenol	3.925	3.932	3.929	0.819	-8.69 x 10^-2	2.40
Linuron	4.549	4.555	4.552	1.107	4.43 x 10^-2	2.59
Naphthalene	4.283	4.286	4.285	0.984	-7.20 x 10^-3	2.75
Endosulfan-diol	5.495	5.498	5.497	1.545	0.189	3.02
Fenthion	6.669	6.665	6.667	2.087	0.319	3.31
a-Endosulfan	7.760	7.766	7.763	2.594	0.414	4.09
Phenanthrene	6.811	6.821	6.816	2.156	0.334	4.09
Diclofop-methyl	7.842	7.835	7.839	2.629	0.420	4.20
DDT	15.218	15.237	15.228	6.050	0.782	5.63

Adsorption coefficient of sample

The retention times, capacity factors and log₁₀K_oc values determined for the sample are shown in the following table:

Peak Number	Injection	Retention Time (mins)	Capacity  Factor (k)	Log10k	Log10Koc	Mean  Log10Koc
1	1	2.399	0.111	-0.956	<1.25	<1.25
	2	2.394	0.108	-0.965	<1.25
2	1	2.977	0.378	-0.422	1.45	1.45
	2	2.971	0.375	-0.425	1.44
3	1	3.226	0.494	-0.307	1.82	1.82
	2	3.221	0.491	-0.309	1.82
4	1	4.603	1.131	5.35 x 10^-2	2.97	2.97
	2	4.597	1.128	5.24 x 10^-2	2.96

Overall log₁₀K_ocrange: <1.25 to 2.97
Adsorption coefficient: <17.8 to 925

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient (Koc) of the test material has been determined to be in the range less than 17.8 to 925, log10 Koc <1.25 to 2.97. From the chromatographic profile, log10 Koc values of <1.25 and 1.82 were attributed to the butan-2-ol and 2,2’-oxybisbutane components of the test material respectively.

Executive summary:

The adsorption coefficient (K_oc) of the test material has been determined to be in the range less than 17.8 to 925, log₁₀K_oc <1.25 to 2.97, using the HPLC screening method, Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008. From the chromatographic profile,log₁₀K_ocvalues of<1.25and 1.82 were attributed to the butan-2-ol and 2,2’-oxybisbutane components of the test material respectively.