[No public or meaningful name is available]

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From December 15, 2018 to March 6, 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: HJ/T 153-2004 “The Guidelines for the Testing of Chemicals, Physical-Chemical Properties and Physical Hazards”, the second version, No.107 (OECD Guidelines for Testing of Chemicals No.107 "Partition Coefficient (n-octanol/water): Shake Flask Method"

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Sulfonic Acids, C18-alkane hydroxyl and C18-alkene, potassium salts

Cas Number:

2210238-56-3

IUPAC Name:

Sulfonic Acids, C18-alkane hydroxyl and C18-alkene, potassium salts

Test material form:

solid

Remarks:

Color: White to pale yellow This sample was obtained from the original liquid form by removing water.

Specific details on test material used for the study:

-Storage conditions
Store container tightly closed in well-ventilated place. Store in corrosive resistant container with a resistant inliner. Store locked up. Don't store with acids.

-Test item stability under storage conditions
Stable in container after opening. Stable in water and in light. Stability in soil is not applicable.

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

-0.056

Temp.:

20 °C

Remarks on result:

other: Pow: 0.88

Any other information on results incl. tables

Test Results

Took and diluted the test solution, then determine the concentrations of the test substance under the analysis condition. The test results showed that the solubility of C18K in n-octanol was 419.31 g・kg^-1, as shown in Table 3.

 

Table 3 　Solubility of n-octanol analysis test results with C18K

Added amount (g)	Equilibrium time	Weight of weighed supernatant m (g)	Measured concentrations ci (µg・mL^-1)	Volume　 V(mL)	Dilute times	Actual concentrations (g・kg^-1)	Average solubility (g・kg^-1)
27.21	24h	0.01652	68.05	100	1000	411.92	419.31
27.36	48h	0.01403	60.26	100	1000	429.51
27.07	72h	0.01285	53.52	100	1000	416.50

According to the solubility of the test substance in water measured in the water solubility test was 473.95 g・kg^-1 , Substituted in Formula (2), and figured out the value of Pow.

   Pow = 419.31 / 473.95 = 0.88

   lgPow = -0.056

 

Deviation

When determining the solubility of the tested substance in water-saturated n-octanol solution, it was observed by naked eyes that all the tested substances were completely dissolved in n-octanol after shaking at 30℃ for 24 hours. It was necessary to continue to add test substance into flasks, and the test time was extended for 24 hours. The test results were judged according to whether the concentration difference the last two measurements was less the 15%, and it did not affect the final test results.

Applicant's summary and conclusion

Conclusions:

The partition coefficient (n-octanol/water) of the registered substance was determined to be Pow = 0.88, lgPow = -0.056, at 20℃.

Executive summary:

-Objective

The aim was to determine partition coefficient (n-octanol / water) of C18K, and being an important parameter for environmental assessment.

 

-Test guideline

HJ/T 153-2004 “The Guidelines for the Testing of Chemicals, Physical-Chemical Properties and Physical Hazards”, the second version, No.107 (OECD Guidelines for Testing of Chemicals No.107 "Partition Coefficient (n-octanol/water): Shake Flask Method"

 

-Calculation method

Since C18K was a surfactant material, according to the guidelines, the partition coefficient (Pow) value was calculated, using the solubility of C18K in water and the solubility in n-octanol alone.

 

-Result

The test was carried out according to the water solubility test, and the solubility of the test substance in water-saturated n-octanol was 419.31 g・kg^-1 as measuerd by a flask method. Combined water solubility test resulting (solubility in water was 473.95 g・kg^-1), the partition coefficient (n-octanol/water) of C18K at 20℃ was calculated in results of Pow = 0.88, lgPow = -0.056.