1,4-Benzenedicarboxylic acid, 1,4-diisononyl ester

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2009-12-08 to 2010-10-05

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

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))

Version / remarks:

(2001)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

other: methanol

Test material

Test material information

Constituent 1

Reference substance name:

1,4-Benzenedicarboxylic acid, 1,4-diisononyl ester

EC Number:

700-453-0

Cas Number:

59802-05-0

Molecular formula:

C26H42O4

IUPAC Name:

1,4-Benzenedicarboxylic acid, 1,4-diisononyl ester

Test material form:

liquid

Radiolabelling:

no

Study design

Test temperature:

30 °C

HPLC method

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: HPLC
- Type: Agilent Technologies 1050, incorporating autosampler and workstation
- Type, material and dimension of analytical (guard) column: Column: CN Optimal 5 µm (150 x 4.6 mm id), Column temperature: 30 °C
- Detection system: UV detector

MOBILE PHASES
- Type: methanol: reverse osmosis water (55:45 v/v)
- Experiments with additives carried out on separate columns: no
- pH: 7.0, adjusted with 0.1M sodium hydroxide
- Solutes for dissolving test and reference substances: methanol
- Flow-rate: 1.0 mL/min


DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity ≥99.5% (supplier information), 750 mg/L solution in methanol:reverse osmosis water (55:45 v/v)).

REFERENCE SUBSTANCES
- Identity: Acetanilide, Phenol, Atrazine, lsoproturon, Triadimenol, Linuron, Naphthalene, Endosulfan-diol, Fenthion, a-Endosulfan, Phenanthrene, Diclofop-methyl, DDT
- Purities: >97.0%
- Concentrations 100-128 mg/L

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: Injection volume: 10 µl
- Quantity of reference substances: Injection volume: 10 µl, concentration 100-128 mg/L
- Calibration: A calibration curve was constructed from the retention time data of the deadtime and reference standard solutions

REPETITIONS
- Number of determinations: duplicates

EVALUATION
- Calculation of capacity factors k': The capacity factor was calculated using the equation k=(retention time (min) - dead time (min)) / dead time (min) and t
- Determination of the log Koc value: The log10Koc value was determined using the equation Log10Koc= (Log10(capacity factor) - (intercept of the calibration curve)) / (slope of the calibration curve) with reference to the calibration curve

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Key result

Sample No.:

#1

Type:

Koc

Value:

> 42 700 dimensionless

pH:

7

Adsorption coefficient 2

Key result

Sample No.:

#2

Type:

log Koc

Value:

> 5.63 dimensionless

pH:

7

Results: HPLC method

Details on results (HPLC method):

- Average retention data for test substance: 26.474 mins
The average rentention time of formamide is 2.071 mins. The test was performed with the mobile phase at a neutral pH as the test item had no functional group that would be ionised within the relevant environmental pH range.

Any other information on results incl. tables

Log₁₀K_oc values for the reference standards

Standard	Retention Time (mins)		Mean Retention Time (mins)	Capacity Factor (k)	Log10k	Log10KOC
	Injection 1	Injection 2
Acetanilide	2.664	2.664	2.664	0.287	-0.543	1.25
Phenol	2.734	2.736	2.735	0.321	-0.494	1.32
Atrazine	3.096	3.099	3.098	0.496	-0.305	1.81
lsoproturon	3.402	3.408	3.405	0.645	-0.191	1.86
Triadimenol	4.124	4.123	4.124	0.992	-3.69 x 10^-3	2.40
Linuron	4.894	4.897	4.896	1.36	0.135	2.59
Naphthalene	4.521	4.522	4.522	1.18	7.33 x 10^-2	2.75
Endosulfan-diol	6.138	6.133	6.136	1.96	0.293	3.02
Fenthion	7.620	7.626	7.623	2.68	0.428	3.31
α-Endosulfan	8.787	8.782	8.785	3.24	0.511	4.09
Phenanthrene	7.586	7.585	7.586	2.66	0.425	4.09
Diclofop-methyl	8.787	8.788	8.788	3.24	0.511	4.20
DDT	17.288	17.285	17.287	7.35	0.866	5.63

Adstorption coefficient of sample

Injection	Retention Time (mins)	Capacity Factor (k)	Log10k	Log10KOC
1	26.475	>7.35	>0.866	>5.63
2	26.473	>7.35	>0.866	>5.63

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient has been determined to be greater than 4.27 x 10^5, log10Koc >5.63, using the HPLC screening method, designed to be compatible with Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.