Tetrylammonium bromide

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

Justification for type of information:

Experimental test result performed using standard test guidelines

Qualifier:

according to guideline

Guideline:

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

Principles of method if other than guideline:

The partition Coefficient n-octanol/water of test chemical Tetrylammonium bromide was determined by Shake Flask method according to OECD Guideline No. 107 for testing of Chemicals.

GLP compliance:

no

Type of method:

flask method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

- Name of test material (IUPAC Name): Tetrylammonium bromide
- Molecular formula: C8H20NBr
- Molecular weight: 210.157 g/mol
- Smiles notation: [N+](CC)(CC)(CC)CC.[BrH-]
- InChI: 1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
- Substance type: Organic

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

-1.6

Temp.:

25 °C

Remarks on result:

other: logKow = -1.606 ± 0.301

Details on results:

The Partition coefficient (Pow) of the test chemical Tetrylammonium bromide was determined to be -1.606 ± 0.301 at 25°C.

Table 1

WATER PHASE
Assay	Ratio (n-octanol/water)	V(ml)	Concentration (mg/l) of test item		Mean concentration mg/l	Dilution factor
			R1	R2
Assay-1	1/2	40	1080.595	1053.085	1066.840	100 times
Assay-2	1/1	30	2084.032	2080.482	2082.257	100 times
Assay-3	2/1	20	4331.949	4319.503	4325.726	100 times

Table 2

OCTANOL PHASE
Assay	Ratio (n-octanol/water)	V(ml)	Concentration (mg/l) of test item		Mean concentration mg/l	Dilution factor
			R1	R2
Assay-1	1/2	20	52.648	52.294	52.471	10 times
Assay-2	1/1	30	52.337	52.143	52.240	10 times
Assay-3	2/1	20	53.031	53.593	53.312	10 times

Table 3

Assay	Ratio(n-octanol/water)	Cn-octanol/Cwater	Pow	Log Pow	Mean of Log Pow
Assay-1	1/2	52.471/1066.840	0.049	-1.308	-1.606 ± 0.301
Assay-2	1/1	52.240/2082.257	0.025	-1.601
Assay-3	2/1	53.312/4325.726	0.012	-1.909

Conclusions:

The partition coefficient of test chemical was determined as per the shake flask method (OECD Guideline-107). The log Pow value was determined to be -1.606 ± 0.301 at 25 oC temperature.

Executive summary:

The Partition coefficient (Pow) of test chemical Tetrylammonium bromide (CAS no. 71 -91 -0) at 25°C was determined according to the OECD Guideline No. 107,”Shake Flask Method”.In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases.The log Pow value was determined to be -1.606 ± 0.301 at 25 oC temperature. By considering this log Pow value it can be concluded that test chemical Tetrylammonium bromide is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.

Description of key information

Based on the available data from study report,the Partition coefficient (Pow) of test chemical Tetrylammonium bromide (CAS no. 71 -91 -0) at 25°C was determined according to the OECD Guideline No. 107,”Shake Flask Method”. In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.606 ± 0.301 at 25 oC temperature. By considering this log Pow value it can be concluded that test chemical Tetrylammonium bromide is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.

Key value for chemical safety assessment

Log Kow (Log Pow):

-1.606

at the temperature of:

25 °C

Additional information

Based on the available data in a key study from study report,the Partition coefficient (Pow) of test chemical Tetrylammonium bromide (CAS no. 71 -91 -0) at 25°C was determined according to the OECD Guideline No. 107,”Shake Flask Method”. In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.606 ± 0.301 at 25 oC temperature.

Another supporting study from handbook, authoritative and modelling databases indicates the partition coefficient (log Pow) value of the test chemical Tetrylammonium bromide was determined to be -2.82.

Thus, on the basis of available information, the logKow value of the chemical Tetrylammonium bromide was determined to be ranges from -2.82 to-1.606, respectively. On the basis of this value, chemical Tetrylammonium bromide can be considered to be hydrophilic nature.