1,3- AND 1,4-CYCLOHEXANDICARBOXYALDEHYDE

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2006

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP/Guideline Study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2006

Report date:

2006

Materials and methods

Test guideline

Test guideline 1

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

Test guideline 2

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

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

482-020-3

EC Name:

-

Molecular formula:

C8H12O2

IUPAC Name:

cyclohexane-1,3-dicarbaldehyde; cyclohexane-1,4-dicarbaldehyde

Test material form:

gas under pressure: refrigerated liquefied gas

Details on test material:

- Name of test material (as cited in study report): unoxolTM 3 ,4 Dialdehyde
- Isomers composition: +/- 53% 1,3-cyclohexanedicarboxdialdehyde (CAS 55309-54-1);
+/- 47% 1,4-cyclohexanedicarboxdialdehyde (CAS 33424-83-8)
- Lot/batch No.: 200502771 -6M
- Expiration date of the lot/batch: 31 December 2006
- Stability under test conditions: Stable
- Storage condition of test material: In refrigerator (2-8°C) in the dark under nitrogen

Radiolabelling:

no

Study design

Test temperature:

CA 35 °C

HPLC method

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Alliance Separation Module 2695 (Waters, Milford, MA, USA)
- Type, material and dimension of analytical (guard) column: 150 mm x 4.6 mm i.d. Hypersil BDS-CN; dp=5 µm (Alltech, Deerfield, IL, USA)
- Detection system: Photodiode Array Detector 2966 (Waters)

MOBILE PHASE neutral pH: 25/75 (v/v) acetonitrile/Milli-Q Water

DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column

REFERENCE SUBSTANCES
- Identity: Phenol; N,N-Demethylbenzamide; Methylbenzoate; 3,5-Dinitrobenzamide; Naphtalene; Mercaptodimethur; Fenthion; Phenantrene

EVALUATION
- Calculation of capacity factors k': K1 = (tr-t0)/t0 where tr = retention time and t0 = column dead time

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

log Koc

Value:

ca. 1.02

Temp.:

35 °C

Remarks on result:

other: 1,4-cyclohexanedicarboxaldehyde

Adsorption coefficient 2

Type:

log Koc

Value:

ca. 1.22

Temp.:

35 °C

Remarks on result:

other: 1,3-cyclohexanedicarboxdialdehyde

Results: HPLC method

Details on results (HPLC method):

UV detection: 210 nm (reference substances and test substance) 195 nm (test substance) In the chromatogram of the test substance solution, two test substance peaks were observed. The (largest) second peak probably derives from 1,3-cyclohexanedicarboxdialdehyde and the first peak from 1,4-cyclohexanedicarboxdialdehyde. The adsorption coefficient (Koc) and log Koc value of the major components of the test substance at neutral pH are: Component Name       Koc     log Koc
Major component 1     11      1.02 (probably 1,4-cyclohexanedicarboxdialdehyde)
Major component 2     17      1.22 (probably 1,3-cyclohexanedicarboxdialdehyde)

Any other information on results incl. tables

UV detection:
210 nm (reference substances and test substance)
195 nm (test substance)

In the chromatogram of the test substance solution, two test
substance peaks were observed. The (largest) second peak
probably derives from 1,3-cyclohexanedicarboxdialdehyde and
the first peak from 1,4-cyclohexanedicarboxdialdehyde.

The adsorption coefficient (Koc) and log Koc value of the
major components of the test substance at neutral pH are:

Component Name       Koc     log Koc
Major component 1     11      1.02
(probably 1,4-cyclohexanedicarboxdialdehyde)

Major component 2     17      1.22
(probably 1,3-cyclohexanedicarboxdialdehyde)

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The organic carbon normalized adsorption/desorption coefficient Koc (LogKoc) for the major compoents of Unoxol is 11 (Log Koc of 1.02) for 1,4-cyclohexanedicarboxdialdehyde (probably) and 17 (log Koc of 1.22) for 1,3-cyclohexanedicarboxdialdehyde (probably). The adsorption potential to soil is very low.

Executive summary:

The organic carbon normalized adsorption/desorption coefficient Koc (LogKoc) for the major compoents of Unoxol is 11 (Log Koc of 1.02) for 1,4-cyclohexanedicarboxdialdehydeand (probably) and 17 (log Koc of 1.22) for 1,3-cyclohexanedicarboxdialdehyde (probably). The adsorption potential to soil is very low.