Propane-1,2-diyl dibenzoate

Adsorption / desorption

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

02 May 2014 to 03 October 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed to GLP and current guidelines

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 (incl. QA statement)

Type of method:

HPLC estimation method

Media:

soil

Radiolabelling:

no

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Agilent 1200 Series Liquid Chromatograph with Chemstation software
- Type, material and dimension of analytical (guard) column: HyperClone CN (CPS) (25 cm x 4.6 mm internal diameter)
- Detection system: UV set at 210 nm

MOBILE PHASES
- Type: Methanol: Water (55:45 v/v)

DETERMINATION OF DEAD TIME
- Method: An internal standard (formamide) with no retention on the HPLC column was used to determine the deadtime of the HPLC system.

REFERENCE SUBSTANCES
- Identity:Acetanilide, Nitrobenzene, Naphthalene, 2-Methylnaphthalene, Anthracene, DDT

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 50 mg/L
- Quantity of reference substances:
Internal deadtime standard (I.D.S.) 217 mg/L
Acetanilide 10.1mg/L
Nitrobenzene 10.1mg/L
Naphthalene 2.70mg/L
Anthracene 10.0mg/L
DDT 10.0mg/L
2-Methylnaphthalene 2.70mg/L


REPETITIONS
- Number of determinations: 2

Key result

Type:

Koc

Value:

4 400

Temp.:

25 °C

Key result

Type:

log Koc

Value:

3.6

Temp.:

25 °C

Details on results (HPLC method):

- Retention times of reference substances used for calibration:

Component Run A Run B
tr (minutes) tr (minutes)

Acetanilide 3.569 3.567
Nitrobenzene 4.319 4.316
Naphthalene 5.381 5.378
2-Methylnaphthalene 6.094 6.090
Anthracene 8.520 8.516
DDT 15.706 15.702
PGDB 6.264 6.263


- Linear regression (based on mean of standard runs A and B): log10Koc = 3.36 log10k + 3.48
- Average retention data for test substance: 6.264 minutes

Validity criteria fulfilled:

yes

Conclusions:

The test substance, propylene glycol dibenzoate, was found to have a log10Koc value of 3.6.

Executive summary:

The test substance, propylene glycol dibenzoate, was found to have a log₁₀K_oc value of 3.6.

Reference 2

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

5 June 1997 - 21 August 1997

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Well documented study conducted to GLP and to an OECD Draft Document

Justification for type of information:

A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.

Reason / purpose for cross-reference:

read-across: supporting information

Qualifier:

equivalent or similar 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:

not specified

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

other: HPLC is performed on commercially available analytical columns packed with a solid phase containing a moderately polar stationary phase with lipophilic and polar moieties, e.g. cyano propyl bonded phase.

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material (migrated information):
PHYSICO-CHEMICAL PROPERTIES
- Vapour pressure:1.2E-06 mm Hg @ 25°C
- Water solubility*: 8.69 mg/L
- log Pow*: 3.9

Radiolabelling:

no

Details on study design: HPLC method:

EQUIPMENT
- Apparatus:
- Type: HPLC instrument: Hewlett Packard HP 1050 Series
- Type, material and dimension of analytical column: Hypersil 5 µm CPS (25 cm x 4.6 mm internal diameter)
- Detection system: UV at 230 nm

MOBILE PHASES
- Type: Methanol:water (55:45 v/v)
- Experiments with additives carried out on separate columns: None reported
pH: Not stated

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (see below)

REFERENCE SUBSTANCES
- Identity:
. IDS - Deadtime only (300 mg/L) Formamide, Internal Deadtime Standard
. Phenol (42 mg/L)
. Trichloroethylene (54 mg/L)
. Bromobenzene (66 mg/L)
. Anthracene (5.9 mg/L)
. Pyrene (3.2 mg/L)
. p,p'-DDT (29 mg/L)

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: a solution approx. 8 mg/L
- Quantity of reference substances: see above

REPETITIONS
- Number of determinations: 3

EVALUATION
- Calculation of capacity factors k': In order to correlate the measured capacity factor (k) ofthe test material with its Koc, six reference materials were selected from a list ofrecommended compounds. These reference compounds were selected to have log10Koc values in the range 1.3 to 5.4.
An internal standard (formamide) with no retention on the HPLC column was used to determine the deadtime ofthe HPLC system.

Key result

Type:

Koc

Value:

3 981

Temp.:

20 °C

Remarks on result:

other: HPLC

Key result

Type:

log Koc

Value:

3.6

Temp.:

20 °C

Remarks on result:

other: HPLC

Validity criteria fulfilled:

not applicable

Conclusions:

A value of log10Koc for DPGDB of 3.6 was obtained (equivalent Koc - 3.981 x 10^3).

Executive summary:

Key data is available for propylene glycol dibenzoate (PGDB). This data is supported by relevant information available from a structural analogue Dipropylene glycol dibenzoate (DPGDB). The justification for read across is presented as an attachment included in Section 13 of the IUCLID dossier

A reference mixture containing formamide (an Internal Deadtime Standard) was injected before and after the DPGDB sample solution (in mobile phase).

From the calibration curve generated from the reference mixture the log₁₀K_oc of DPGDB could be interpolated. A value of log₁₀K_oc for DPGDB of 3.6 was obtained (equivalent K_oc = 3.981 x 10³).

Description of key information

Key data is available for propylene glycol dibenzoate (PGDB). This data is supported by relevant information available from a structural analogue Dipropylene glycol dibenzoate (DPGDB). The justification for read across is provided as an attachment included in Section 13 of the IUCLID dossier.

Propylene glycol dibenzoate was determined to have a log₁₀K_oc value of 3.6 (equivalent K_oc = 4.4 x 10³) at 25°C in a GLP study performed to internationally accepted guidelines (Huntingdon Life Sciences, 2014a; Klimisch Score = 1).

Dipropylene glycol dibenzoate was determined to have a log₁₀K_oc value of 3.6 (equivalent K_oc = 3.981 x 10³) at 20°C (Huntingdon Life Sciences, 1999b; Klimisch Score = 1).

Key value for chemical safety assessment

Koc at 20 °C:

4 400

Additional information

Log K_oc: 3.6