1-nitroguanidine

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 April 2014 - 12 June 2014

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)

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Los 3286

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

ca. -0.815

Temp.:

20 °C

pH:

>= 6.6 - <= 7.3

Table8.2-a: Concentrations of the test item in 1-octanol

Step	Dilution factor	Area [mAU*min]	Concentration (dilution factor included) [mg/L]	Amount of the test item in 1-octanol [mg]
1_1	10	1.7842	141.05	0.56
1_1	10	1.8108	143.18	0.57
1_2	10	1.7752	140.32	0.56
1_2	10	1.8045	142.67	0.57
2_1	10	1.8753	148.37	0.37
2_1	10	1.9231	152.21	0.38
2_2	10	1.8921	149.72	0.37
2_2	10	1.9389	153.48	0.38
3_1	10	1.7062	134.77	0.81
3_1	10	1.7068	134.82	0.81
3_2	10	1.6319	128.80	0.77
3_2	10	1.6619	131.21	0.79

 

Table 8.3-a: Concentrations of the test item in water

Step	Area [mAU*min]	Concentration (original sample) [mg/]	Amount of the test item in water [mg]
1_1	110.5336	930.78	7.45
1_1	110.4209	929.79	7.44
1_2	110.8866	933.90	7.47
1_2	111.4021	938.44	7.51
2_1	115.0045	970.26	9.70
2_1	115.1930	971.93	9.72
2_2	115.8746	977.96	9.78
2_2	114.7423	967.94	9.68
3_1	101.4609	851.17	5.11
3_1	102.4382	859.71	5.16
3_2	104.7292	879.77	5.28
3_2	104.8998	881.27	5.29

 

Conclusions:

The log Pow for nitroguanidine is -0.815 at a pH of 6.6-7.3.

Executive summary:

The partition coefficient was determined with the shake flask method (OECD guideline 107, EU method A.8), and analytical determination of concentrations in the separated water and n-octanol phases using HPLC. The log Pow of nitroguanidine is −0.815.

Reference 2

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

1990

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Qualifier:

no guideline followed

Principles of method if other than guideline:

The Kow for nitroguanidine was determined by equilibrating 10 ml of water solutions of nitroguanidine with various amounts of octanol and analyzing both phases for nitroguanidine by HPLC. A reversed phase C18 column, pure water eluent and ultraviolet detection were used for the determination of the substance.

GLP compliance:

not specified

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Test stubstance supplier Aldrich Chemical Co.
Water content 25%

Key result

Type:

Pow

Partition coefficient:

0.15

Temp.:

25 °C

Remarks on result:

other: pH was not specified

The Kow for nitroguanidine was determined by equilibrating 10 ml of water solutions of nitroguanidine with various amounts of octanol and analyzing both phases for nitroguanidine. The Kow was determined to be 0.15.

Conclusions:

The octanol-water partition coefficient of nitroguanidine is low.

Executive summary:

The octanol-water partition coefficient was determined with the HPLC method. The moistend nitroguanidine (25% water) was dried overnight at 120 °C in an oven prior to testing. The Kow for nitroguanidine was determined by equilibrating 10 ml of water solutions of nitroguanidine with various amounts of octanol and analyzing both phases for nitroguanidine. The Kow was determined to be 0.15.

Reference 3

Endpoint:

partition coefficient

Type of information:

other: collection of data

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

secondary literature

Principles of method if other than guideline:

Information on physico-chemical properties was taken from the "Encyclopedia of Explosives and Related Items. PATR2700 Vol. 6. Picatinny Arsenal, Dover, NJ (1974)"

GLP compliance:

not specified

Type of method:

other: handbook data

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Test stubstance supplied Sunflower AAP

Remarks on result:

not measured/tested

No information is available on the octanol/water partition coefficient of nitroguanidine. However, since this compound is readily water soluble, and since there is an inverse relationship between water solubility and bioconcentration, the significance of this pathway in the environmental fate of nitroguanidine is probably low.

Conclusions:

The octanol/water partition coefficient of nitroguanidine is low.

Executive summary:

No information is available on the octanol/water partition coefficient of nitroguanidine. However, since this compound is readily water soluble, and since there is an inverse relationship between water solubility and bioconcentration, the significance of this pathway in the environmental fate of nitroguanidine is probably low.

Reference 4

Endpoint:

partition coefficient

Type of information:

other: collection of data

Adequacy of study:

supporting study

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

secondary literature

Principles of method if other than guideline:

Environment Agency R&D Dissemination Centre: secondary literature, details on methods not reported

GLP compliance:

not specified

Type of method:

other: not mentioned

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Test stubstance supplier not specified

Type:

Pow

Partition coefficient:

0.15

Remarks on result:

other: temperature and pH were not specified

A value for the octanol-water partition coefficient (Kow) of 0.15 is recommended for use.

Conclusions:

The octanol-water partition coefficient of nitroguanidine is low.

Executive summary:

The information is extracted from a collection of data published by the Environment Agency R&D Dissemination Centre. A value for the octanol-water partition coefficient (Kow) of 0.15 is recommended for use.

Description of key information

In a recent guideline compliant study the log Pow of nitroguanidine was determined to be -0.815,

which is adopted as the key value for CSA. Four literature sources are available as supportive data, confirming that the partition coefficient of the substance is low.

Key value for chemical safety assessment

Log Kow (Log Pow):

-0.815

at the temperature of:

20 °C

Additional information

In a recent guideline compliant study the log Pow of nitroguanidine was determined to be -0.815. This experiment is considered as the key study.

In addition, published literature sources are available that can be considered as supportive data. The partition coefficients reported therein vary between Pow = 0.15 (log Pow = −0.82) and log Pow = −0.89, confirming the result from the guideline study.