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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
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 1'-acetonaphthone (CAS No.941-98-0) 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): 1'-Acetonaphthone
- Molecular formula: C12H10O
- Molecular weight: 170.21 g/mol
- SMILES: c12c(cccc1C(C)=O)cccc2
- InChI: 1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
- Substance type: Organic
- Physical state: Liquid
- Batch no.: 0009
- Purity: 98.58% (BY GC)
- Physical Appearance: pale yellow clear liquid
- Stability: Stable in recommended storage conditions
- Storage Conditions: 1. Ambient Temp (23 to 27 °C)(Keep container tightly closed in a dry & wellventilated place. Store in cool place. Do not expose to air, light & moisture.)
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.368
Temp.:
25 °C
pH:
6
Remarks on result:
other: logKow was reported to be 3.368 ± 0.001
Details on results:
The Partition coefficient (Pow) of the 1'-acetonaphthone (CAS No. 941-98-0) was determined to be 3.368 ± 0.001 at 25°C

Test Substance

K

Log k

Log Pow by Generalized Calibration Graph

Mean of logPow ± S.D

Tr1

1.806

0.921

-0.036

3.367

3.368 ± 0.001

Tr2

1.807

0.922

-0.035

3.368

Conclusions:
The partition coefficient(n-octanol/water) of test substance 1'-acetonaphthone (CAS No. 941-98-0) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.368 ± 0.001 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of test chemical 1'-acetonaphthone (CAS No. 941-98-0) 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 measuring 5 μL of test item and diluting with acetonitrile up to 10 mL. Thus, the test solution concentration was 560 mg/l. The pH of test substance was 6.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.. The reference substances were Phenol, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, 2,3-Dichloroaniline, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Cinnamic Acid, Dodecanoic acid, n-Butylbenzene, Naphthalene, Diphenyl ether, DDT having log Pow value ranging from 1.5 to 6.5. The Log Pow value of the test chemical 1'-acetonaphthone was determined to be 3.368 ± 0.001 dimensionless at 25°C.

Description of key information

The partition Coefficient n-octanol/water of test chemical 1'-acetonaphthone (CAS No. 941-98-0) 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 measuring 5 μL of test item and diluting with acetonitrile up to 10 mL. Thus, the test solution concentration was 560 mg/l. The pH of test substance was 6.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.. The reference substances were Phenol, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, 2,3-Dichloroaniline, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Cinnamic Acid, Dodecanoic acid, n-Butylbenzene, Naphthalene, Diphenyl ether, DDT having log Pow value ranging from 1.5 to 6.5. The Log Pow value of the test chemical 1'-acetonaphthone was determined to be 3.368 ± 0.001 dimensionless at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.368
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of test chemical 1'-acetonaphthone (CAS No. 941-98-0) 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 measuring 5 μL of test item and diluting with acetonitrile up to 10 mL. Thus, the test solution concentration was 560 mg/l. The pH of test substance was 6.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.. The reference substances were Phenol, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, 2,3-Dichloroaniline, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Cinnamic Acid, Dodecanoic acid, n-Butylbenzene, Naphthalene, Diphenyl ether, DDT having log Pow value ranging from 1.5 to 6.5. The Log Pow value of the test chemical 1'-acetonaphthone was determined to be 3.368 ± 0.001 dimensionless at 25°C.

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