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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From November 6, 2019 to December 31, 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Supplied by Sponsor, Batch no 1910031010R
- Expiration date of the lot/batch: 3 October 2020
- Purity test date: 3 October 2019
- Purity: 99.927% w/w
- Physical state/appearance: Clear colorless liquid

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature in the dark
- Stability under test conditions: stable
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.35
Temp.:
30 °C
Remarks on result:
other: no pH as the measure was done by HPLC

Preliminary Estimate


The log10 Pow was calculated to be: 0.09


Definitive Test


Calibration


The retention times of the dead time and the retention times, capacity factors and log10 Pow values for the reference standards are shown in the following table:




















































































        Retention time (min)   
  Standard  Injection 1Injection 2 Mean    Capacity factor (k')Log10 k'Log10 Pow 

 Thiourea (dead time)


 1.790 1.793 1.791 - - -
 2 -Butanone 2.564 2.567 2.565 0.432 -0.364 0.3
Benzyl alcohol  3.162 3.162 3.162 0.765 -0.116 1.1
Benzonitrile  4.206 4.207 4.206 1.35 0.130 1.6
Benzene  7.036 7.043 7.039 2.93 0.467 2.1
Toluene  10.991 10.988 10.989 5.13 0.710 2.7
 Naphthalene 16.765 16.768 16.767 8.36 0.922 3.6

Partition coefficient of sample


The retention time, capacity factor and log10 Pow values determined for the sample are shown in the following table:


























 Injection     Retention time (min)    Capacity factor (k')  Log10 k'  Log10 Pow
 1 3.8661.16 6.36x10-2 1.36 
 2 3.8631.16 6.30x10-2 1.35 

Mean log10 Pow: 1.35


Partition coefficient: 22.6

Conclusions:
The partition coefficient of 4,8-Dimethyl-2,5,7,10-tetraoxaundecane has been determined to be 22.6, log10 Pow 1.35.
Executive summary:

The partition coefficient of 4,8-Dimethyl-2,5,7,10-tetraoxaundecane has been determined to be 22.6 (log10 Pow 1.35) using the HPLC method.


The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for 4,8-Dimethyl-2,5,7,10-tetraoxaundecane.

Description of key information

A guideline study was performed using the HPLC method and the partition coefficient of 4,8-Dimethyl-2,5,7,10-tetraoxaundecane was determined to be 22.6.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.35

Additional information