2'-acetonaphthone

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:

Data is from experimental study performed using standard OECD Guideline.

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Principles of method if other than guideline:

The partition Coefficient n-octanol/water of chemical test was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.678

Temp.:

25 °C

Remarks on result:

other: Log Pow value reported as 2.6776 ± 0.001

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 2.6776 at 25°C

Table 1

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow ± S.D.
Rt1	1.793	0.9067	-0.0425	2.6783	2.6776±0.001
Rt2	1.792	0.9057	-0.0430	2.6769

Table 2

Reference substance	Log Pow	Rt1	Rt2	Rt3	Mean Rt ± S.D.	k	Log k
Formamide	NA	0.977	0.922	0.922	0.94033±0.032	0	0
Acetophenone	1.7	1.354	1.353	NA	1.3535±0.001	0.4394	-0.3571
Benzophenone	3.2	1.974	1.979	NA	1.9765±0.004	1.1019	0.0421
Phenol	1.5	1.15	1.149	NA	1.1495±0.001	0.2224	-0.6529
Benzene	2.1	1.771	1.775	NA	1.773±0.003	0.886	-0.0526
4-Acetylpyridine	0.5	1.076	1.077	NA	1.0765±0.001	0.1448	-0.8391
2-Nitrophenol	1.8	1.366	1.369	NA	1.3675±0.002	0.4543	-0.3427
Nitrobenzene	1.9	1.454	1.458	NA	1.456±0.003	0.5484	-0.2609
Naphthalene	3.6	2.388	2.393	NA	2.3905±0.004	1.5422	0.1881

Conclusions:

The partition coefficient (n-octanol/water) of test chemical was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with mobile phase up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.5 to 3.6. The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Bu considering this log Kow value test chemical is considered to be hydrophilic in nature.

Description of key information

The partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with mobile phase up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.5 to 3.6. The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Bu considering this log Kow value test chemical is considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.678

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with mobile phase up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.5 to 3.6. The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Bu considering this log Kow value test chemical is considered to be hydrophilic in nature.