2,3-xylenol

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)

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:

2.115

Temp.:

25 °C

pH:

6.6

Remarks on result:

other: Log Pow reported as 2.115 ± 0.002

Table 1: Results of test substance

Test substance		K	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow± S.D.
tR1	1.391	0.479	-0.319	2.114	2.115 ± 0.002
tR2	1.392	0.480	-0.318	2.116

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 2.115 ± 0.002 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 5 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.6. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Allyl phenyl ether having Pow value ranging from 1.3 to 4.6 The Log Pow value was determined to be 2.115 ± 0.002 at 25°C.

Description of key information

Based on the available data from study report, the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 5 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.6. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Allyl phenyl ether having Pow value ranging from 1.3 to 4.6 The Log Pow value was determined to be 2.115 ± 0.002 at 25°C. This value indicates that the substance is hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.115

at the temperature of:

25 °C

Additional information

Based on the available data from study report, the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 5 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.6. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Allyl phenyl ether having Pow value ranging from 1.3 to 4.6 The Log Pow value was determined to be 2.115 ± 0.002 at 25°C.

In a supporting study from reliable sources, the experimental octanol water partition coefficient (logPow) of test chemical as 2.48

Additional study from handbook and authoritative databases suggests that the estimated octanol water partition coefficient (logPow) of test chemical as 2.61.

On the basis of available information, test chemical was considered to be hydrophilic in nature.