1-Propanaminium, 2-hydroxy-N-(2-hydroxyethyl)-N-methyl-N-[2-[(1-oxo-9-octadecen-1-yl)amino]ethyl]-3-sulfo-, methyl sulfate, sodium salt (1:1:1)

Partition coefficient

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

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Version / remarks:

27 July 1995

Deviations:

no

GLP compliance:

not specified

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

5.25

Temp.:

20 °C

pH:

5.67

Table 1: 1 -Octanol solubility of the test item

Flask	Shaking Duration (h)	Weighted sample in g/5 mL	Peak areas of the signals	1-Octanol solubility of the test item mg/L	Average/ day mg/L	Average mg/L	Standard deviation mg/L
OCT-1	24	3.8115	21503752	402012	403008	409360	23291
OCT-2	24	3.5026	20332885	396077
OCT-3	24	4.0760	22090745	410936
OCT-4	48	3.6101	20411898	404759	435168
OCT-5	48	5.4482	22086671	472396
OCT-6	48	4.1891	20220678	428350
OCT-7	72	3.5222	17079457	364426	389904
OCT-8	72	4.1873	20547148	408642
OCT-9	72	4.1062	19178531	396643

The individual results differ by 5.7 % for 1-octanol solubility, which makes tests correct.

Solubility of the test item in 1-Octanol: 409.36 ± 23.29 g/L

Estimation of the partition coefficient:

The partition coefficient of the solute can be estimated with the following formula:

log Pow = log ([solute] 1-octanol/[solute] water)

With the previous results for water solubility of 0.0023 ±0.0001 g/L and 1-Octanol solubility, the estimation of the partition coefficient of the tets item is:

log Pow = log (409.36 g/L /0.0023 g/L) = 5.25

Conclusions:

In a study performed according to OECD 107 a log Pow of 5.25 was determind for the test item.

Executive summary:

The partition coefficient of the test item was determined in a study according to OECD guideline 107. For the test item a log Pow of 5.25 was determined.

Description of key information

In a study performed according to OECD 107 a log Pow of 5.25 was determind for the test item.

Key value for chemical safety assessment

Log Kow (Log Pow):

5.25

at the temperature of:

20 °C

Additional information

The partition coefficient of the test item was determined in a study according to OECD guideline 107. For the test item a log Pow of 5.25 was determined.