Heptanal, 2-(phenylmethylene)-, (2E)-

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

13/04/2012 - 23/04/2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

This study was carried out in accordance with OECD guideline 121 with no deviations and GLP standards were maintained throughout.

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

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

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material (migrated information):
Not applicable

Test temperature:

30oC

Details on study design: HPLC method:

The test utilized a high performance liquid chromatograph. A cyanopropyl reverse phase HPLC column containing lipophilic and polar moities was used.

HPLC system: Agilent technologies 1200, incorporating autosampler and EZChrom workstation.
Column: Waters XSELECT HSS Cyano (150 x 4.6 mm id
Column temperature: 30oC
Mobile phase: Methanol:water (55:45 v/v)
pH of mobile phase: 6.8 adjusted with 1M sodium hydroxide
Flow rate: 1.0 mL/min
Injection volume: 5 µl
UV detector wavelength: 210 nm

Analytical monitoring:

not specified

Computational methods:

A calibration curve was constructed from retention time data of dead time and reference solutions. The capacity factor was calculated using the following equation:

k'= (tr-t0)/t0

Where:
k'= capacity factor
tr= retention time (min)
t0= dead time (min)

The adsorption coefficient was calculated using:

Log10 Koc=( Log10 k'-A)/B

Where:
Koc= adsorption coefficient
k'= capacity factor
A= intercept of calibration curve
B= slope of calibration curve

Type:

log Koc

Value:

3.88 - 3.96

Temp.:

30 °C

Details on results (HPLC method):

The test substance had no dissociation constants within the environmentally relevant pH range so the test was performed at approximately pH 7 mobile phase. As the slope of the calibration curve showed good first order correlation and the duplicate injections for each solution were consistent, the HPLC method was considered a valid method of determination of adsorption coefficient.

Based on the information on composition it was considered that the chromotography peak 1 represented the trans isomer while peak 2 represents the cis isomer. Peak 1 had a percentage area normalisation of 94.35%, while peak 2 was 5.65%. It was determined that the adsorption coefficient (Koc) of the test item was in the range of 7580-9150, or log10 Koc of 3.88-3.96.

Adsorption and desorption constants:

Not applicable

Recovery of test material:

Not applicable

Concentration of test substance at end of adsorption equilibration period:

Not applicable

Concentration of test substance at end of desorption equilibration period:

Not applicable

Table 1: Retention times, capacity factors and log₁₀ Koc value determined for the sample.

Peak number	Injection	Retention time (mins)	Capacity factor (k')	Log10 k'	Log10 Koc	Koc
1	1	10.656	4.67	0.669	3.88	7.58x10^3
1	2	10.666	4.67	0.699	3.88
2	1	11.244	4.98	0.697	3.96	9.15x10^3
2	2	11.254	4.99	0.698	3.96

Validity criteria fulfilled:

yes

Conclusions:

The log Koc for amyl cinnamic aldehyde is between 3.88 and 3.96. These values indicate that the substance is immobile.

Executive summary:

A study was carried out according to OECD guideline 121 in order to determine the adsorption coefficient of amyl cinnamic aldehyde. The test was carried out by HPLC screening method. A solution of the test substance was injected to a HPLC system with a column temperature of 30oC and retention time was measured. Dead time was determined using by measuring the retention time of formamide. A calibration curve was created using retention time data from dead time and reference solutions. The adsorption coefficient (Koc) of the test substance was determined to be in the range of 7.58x10³ to 9.15x10³ (log Koc = 3.88-3.96).

Description of key information

The adsorption coefficient (Koc) of amyl cinnamic aldehyde was determined to be in the range of 7580-9150 (log Koc= 3.88-3.96)

Key value for chemical safety assessment

Koc at 20 °C:

8 365

Additional information

A study was carried out according to OECD guideline 121 in order to determine the adsorption coefficient of amyl cinnamic aldehyde. The test was carried out by HPLC screening method. A solution of the test substance was injected to a HPLC system with a column temperature of 30oC and retention time was measured. Dead time was determined using by measuring the retention time of formamide. A calibration curve was created using retention time data from dead time and reference solutions. The adsorption coefficient (Koc) of the test substance was determined to be in the range of 7.58x10³ to 9.15x10³(log Koc = 3.88-3.96).

The arithmetic mean of these two values has been calculated so that the Koc could be given as a single value of 8.365x103 (log Koc =3.92).

[LogKoc: 3.92]