2,4,7-trimethyloct-6-en-1-ol

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

09th May 2017 through 07th June 2017

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

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 (incl. QA statement)

Type of method:

HPLC estimation method

Test material

Test material information

Constituent 1

Reference substance name:

2,4,7-trimethyloct-6-en-1-ol

EC Number:

814-338-9

Cas Number:

1913285-57-0

Molecular formula:

C11H22O

IUPAC Name:

2,4,7-trimethyloct-6-en-1-ol

Test material form:

liquid

Specific details on test material used for the study:

Lot No. : VE00466805;
Purity : 93.5% (sum of two isomers);
Date of Expiry : 23 January 2019

Radiolabelling:

no

Study design

Test temperature:

The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Koc values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way.

HPLC method

Details on study design: HPLC method:

Reverse phase High Performance Liquid Chromatography on cyanopropyl-modified silica stationary phase, containing lipophilic and polar moieties, is used.

While passing through the column among with the mobile phase the test substance interacts with the stationary phase. As a result of the partitioning between the mobile and stationary phase the test substance is retarded. The dual-composition of the stationary phase having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as it is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between the retention time on the column and the adsorption coefficient on organic matter to be established.

Reference Substances :
- Formamide Dead-Time
- 2-Nitrobenzamide logKoc = 1.45
- Methyl Benzoate logKoc = 1.80
- Naphthalene logKoc = 2.75
- 1,2,3-Trichlorobenzene logKoc = 3.16
- Phenanthrene logKoc = 4.09
- 4,4'-DDT logKoc = 5.63

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Key result

Type:

log Koc

Value:

3.2

Temp.:

35 °C

Remarks on result:

other: OECD 121 - HPLC method

Adsorption coefficient 2

Type:

log Koc

Value:

2.9

Temp.:

35 °C

Remarks on result:

other: OECD 121 - HPLC Method

Remarks:

logKoc of impurity

Results: HPLC method

Details on results (HPLC method):

logKoc of GR-50-3010 = 3.2

logKoc of impurity = 2.9

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Remarks:

The quality criteria, as stipulated in the OECD TG 121 were fulfilled.

Conclusions:

Adsorption coefficients (Koc) of GR-50-3010 is 3.2.

Executive summary:

The chromatograms of GR-50-3010 show two peaks at average retention times of 6.31 minutes (7.3% peak area - impurity) and 7.35 minutes (92.7% peak area - GR-50 -3010), corresponding to adsorption coefficients (log value) of 2.9 and 3.2.

 

 

Therefore:Adsorption coefficients (Koc) of GR-50-3010 is 3.2.