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Partition coefficient

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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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
The partition Coefficient n-octanol/water of Ethyl 2-naphthyl ether (CAS No. 93-18-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material (IUPAC name): Ethyl 2-naphthyl ether
- Molecular formula: C12H12O
- Molecular weight: 172.226 g/mol
- Smiles notation: c12c(ccc(c1)OCC)cccc2
- InChl: 1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
- Substance type: Organic
- Physical state: Solid
- Batch No./ Lot no.: MKBW6331V
- Physical Appearance: white powder
- Storage Conditions: Ambient Temp (23 to 27 °C) √ (Store in a cool place. Keep containers tightly closed in a dry and well ventilated place)
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.748
Temp.:
25 °C
pH:
6.23
Remarks on result:
other: LogKow was reported to be 3.7475 ± 0.0004
Details on results:
The Partition coefficient (Pow) of the Ethyl 2-naphthyl ether (CAS No. 93-18-5) was determined to be 3.7475 ± 0.0004 at 25°C

Test substance

K

LogK

Log Pow by Generalized Calibration Graph

Mean of logPow ± S.D

Tr1

2.883

2.065934066

0.315116457

3.747836507

3.7475±0.0004

Tr2

2.882

2.064870613

0.314892844

3.747257572

Conclusions:
The partition coefficient(n-octanol/water) of test substance Ethyl 2-naphthyl ether (CAS No. 93-18-5) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.7475 ± 0.0004 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test chemical Ethyl 2-naphthyl ether (CAS No. 93-18-5) 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 4 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.23. 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, 2-Nitrophenol, Nitrobenzene, Naphthalene, Diphenyl ether having Pow value ranging from 1.3 to 4.2. The Log Pow value of the test substance Ethyl 2-naphthyl ether was determined to be 3.7475 ± 0.0004 dimensionless at 25°C.

Description of key information

Based on the available data from study report,thepartition coefficient n-octanol/water of chemical Ethyl 2-naphthyl ether (CAS No. 93-18-5) 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 ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.23. 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, 2-Nitrophenol, Nitrobenzene, Naphthalene, Diphenyl ether having Pow value ranging from 1.3 to 4.2. The Log Pow value of the test chemical Ethyl 2-naphthyl ether was determined to be 3.7475 ± 0.0004 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.747
at the temperature of:
25 °C

Additional information

Based on the available data in a key study from study report, thepartition coefficient n-octanol/water of chemical Ethyl 2-naphthyl ether (CAS No. 93-18-5) 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 ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.2. 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, 2-Nitrophenol, Nitrobenzene, Naphthalene, Diphenyl ether having Pow value ranging from 1.3 to 4.2. The Log Pow value of the test chemical Ethyl 2-naphthyl ether was determined to be 3.7475 ± 0.0004 at 25°C.

Additional study from authoritative and modelling databases indicates that the partition coefficient (log Pow) value of the substance Ethyl 2-naphthyl ether was estimated to be 3.74.

Thus, on the basis of available information, the logKow value of the chemical Ethyl 2-naphthyl ether was determined to be 3.74, respectively.