Reaction mass of 2-methylpentane and Hexanol, branched and linear and diisopropyl ether

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Testing was conducted between 23 December 2009 and 03 March 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:

Test material

Test material information

Constituent 1

Reference substance name:

Reaction Products of C3 alcohols and C3 alkenes obtained as by-products from the manufacture of propan-2-ol by hydration of propylene

EC Number:

701-241-0

Molecular formula:

A complex and variable combination of hydrocarbons having carbon numbers predominantly in the C3, C6 & C9 chain length and oxygenated organic molecules, predominantly diisopropyl ether and hexanol (branched and linear). See diagram

IUPAC Name:

Reaction Products of C3 alcohols and C3 alkenes obtained as by-products from the manufacture of propan-2-ol by hydration of propylene

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 - 2 330

Remarks on result:

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

Adsorption coefficient 2

Type:

log Koc

Value:

1.25 - 3.37

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	2.167	2.169	2.168

Standard	Retention Time (mins)		Mean Retention Time (mins)	Capacity Factor (k)	Log10k	Log10Koc
	Injection 1	Injection 2
Acetanilide	2.715	2.710	2.713	0.251	-0.600	1.25
Phenol	2.767	2.764	2.766	0.276	-0.560	1.32
Atrazine	3.097	3.098	3.098	0.429	-0.368	1.81
Isoproturon	3.344	3.346	3.345	0.543	-0.265	1.86
Triadimenol	3.972	3.972	3.972	0.832	-7.98 x 10^-2	2.40
Linuron	4.588	4.590	4.589	1.117	4.79 x 10^-2	2.59
Naphthalene	4.320	4.316	4.318	0.992	-3.62 x 10^-3	2.75
Endosulfan-diol	5.544	5.542	5.543	1.557	0.192	3.02
Fenthion	6.761	6.755	6.758	2.117	0.326	3.31
a-Endosulfan	7.870	7.872	7.871	2.631	0.420	4.09
Phenanthrene	6.890	6.887	6.889	2.177	0.338	4.09
Diclofop-methyl	7.947	7.953	7.950	2.667	0.426	4.20
DDT	15.653	15.576	15.615	6.202	0.793	5.63

Adsorption coefficient of sample

The retention times, capacity factors and log₁₀K_ocvalues 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	2.334	7.66 x 10^-2	-1.12	<1.25	<1.25
	2	2.330	7.47 x 10^-2	-1.13	<1.25
2	1	2.676	0.234	-0.630	<1.25	<1.25
	2	2.673	0.233	-0.633	<1.25
3	1	3.626	0.673	-0.172	2.24	2.24
	2	3.623	0.671	-0.173	2.24
4	1	4.170	0.923	-3.46 x 10^-2	2.68	2.68
	2	4.167	0.922	3.53 x 10^-2	2.67
5	1	5.479	1.527	0.184	3.37	3.37
	2	5.476	1.526	0.184	3.37

--

Overall log₁₀K_ocrange: <1.25 to 3.37
Adsorption coefficient: 17.8 to 2.33 x 10³

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 2.33 x 103 , log10 Koc <1.25 to 3.37.

Executive summary:

The adsorption coefficient (Koc) of the test material has been determined to be in the range less than 17.8 to 2.33 x 10³, log₁₀K_oc <1.25 to 3.37, using the HPLC screening method, Method C19 Adsorption Coefficient of Council Regulation (EC) No 440/2008 of 30 May 2008.