Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

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 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.