Nonanoic acid, 2-oxiranylmethyl ester, branched

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study was conducted according to the O.E.C.D. test guideline 121 with GLP compliance.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2012

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

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

2,3-epoxypropyl neodecanoate

EC Number:

247-979-2

EC Name:

2,3-epoxypropyl neodecanoate

Cas Number:

26761-45-5

Molecular formula:

C13H24O3

IUPAC Name:

Oxiran-2-ylmethyl 2-ethyl-2,5-dimethylhexanoate

Constituent 2

Reference substance name:

Neodecanoic acid, oxiranylmethyl ester

IUPAC Name:

Neodecanoic acid, oxiranylmethyl ester

Test material form:

other: Colorless liquid at room temperature.

Details on test material:

As per IUCLID5 Sections 1.1. 1.2. 1.4. and 4.1. for 2,3-epoxypropyl neodecanoate, REACH Registration: 01-2119431597-33-0000.

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material (migrated information):
As per IUCLID5 Sections 1.1. 1.2. 1.4. and 4.1. for 2,3-epoxypropyl neodecanoate, REACH Registration: 01-2119431597-33-0000.

Radiolabelling:

no

Study design

Test temperature:

Ambient

HPLC method

Details on study design: HPLC method:

Test item (0. 1074 g) was diluted to 100 ml with methanol to give a concentration of 1 .07 gm/L. The dead time was determined by measuring the retention time of formamide (purity* 99.94%, 738 mg/L solution in mobile phase). Solutions of reference standards:Acetanilide, Phenol, Atrazine, Isoproturon, Triadimeno, Linuron, Naphthalene, Endosulfan-diol, Fenthion, Phenanthrene, Diclofop-methyl and DDT were prepared in methanol.

The test sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System - Agilent Technologies 1200 incorporating workstation, Column - Luna CN 5 t (1 50 x 4.6 mm id) and Column temperature - 30 °C, Mobile phas - Methanol:water (55 :45 v/v) and pH ofmobile phase - 6.5, Flow-rate - 1.0 mL/min, Injection volume - 10 u1, Uv detector wavelength - 210 nm.

A calibration curve was constructed from the retention time data of the dead time and reference standard solutions. The capacity factors k’ for the reference standards were calculated.

Results and discussion

Adsorption coefficient

Type:

log Koc

Value:

ca. 2.16

Remarks on result:

other: Temperature as ambient.

Results: HPLC method

Details on results (HPLC method):

Injection Retention Time (mins) Capacity Factor (k) Log10 k Mean Log10 Ko Adsorption Coefficient
1 3.212 0.620 -0.208
2 3.163 0.595 -0.225 2.16 143

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The mean Log Koc was 2.16 suggesting a low potential of the test substance to adsorb to soil and sediment.

Executive summary:

The structural analog, 2,3-epoxypropyl neodecanoate was tested for Adsorption/Disorption by O.E.C.D. test guideline 121 HPLC method. The mean Log Koc was determined to be 2.16 suggesting a low potential of the test substance and Neononanoic acid glycidyl ester to adsorb to soil and sediment.