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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
DE 535 (Ester)
Lot # TSN 100400
Purity: 99.7%
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4
Temp.:
20 °C
pH:
8.28
Type:
Pow
Partition coefficient:
9 890
Temp.:
20 °C
pH:
8.28
Conclusions:
log Kow: 4 at 20°C
Equivalent Pow: 9890
Executive summary:

The study was conducted following OECD guideline 107 and EEC method A8.

Measured volumes of the test substance in n-octanol (saturated with water) were shaken with measured volumes of purified water (saturated with n-octanol) for 5 minutes. The mixtures were transferred to centrifuge tubes and equilibrated at 20°C for 18 hours prior to centrifugation at 2500 rpm for 10 minutes at 20°C. Following separation, the aqueous phases were filtered and an aliquot (10 mL) of each extracted with two portions (25 mL) of dichloromethane. The combined extracts were evaporated to dryness under nitrogen at 40°C and re-dissolved in diluent solution (0.5 mL) containing octanophenone (internal standard) for analysis by HPLC. Recoveries were determined by extracting purified water (20 ml) fortified with test substance at the anticipated solubility level (5 mg/L), then extracting and preparing the samples for analysis as above.

Samples (1 mL) of the n-octanol phases were added to internal standard solution (1 mL) and diluted to volume (25 mL) with diluent solution for analysis by HPLC.

Partition coefficient: log Kow = 4.00; Equivalent Kow = 9890.

Description of key information

OECD 107; EU Method A.8

Key value for chemical safety assessment

Log Kow (Log Pow):
4
at the temperature of:
20 °C

Additional information