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EC number: 209-447-8 | CAS number: 579-75-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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 result performed using standard methods of analysis
- 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 Benzene-1,4-diammonium sulphate(CAS No.16245-77-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material : 2-methoxybenzoic acid
- Molecular formula: C8H8O3
- Molecular weight : 152.1482 g/mol
- Smiles notation : COc1ccccc1C(=O)O
- InChl:1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
- Substance type:Organic
- Physical state:Solid - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.046
- Temp.:
- 25 °C
- pH:
- >= 1.4 - <= 3.2
- Remarks on result:
- other: no additional details mentioned
- Conclusions:
- The partition Coefficient n-octanol/water of o-anisic acid(CAS No.579-75-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were Phenoxyacetic acid, toluene, ethylbenzene and allyl phenyl ether having Pow value ranging from 1.4 to 3.2. TheLog Pow value was determined to be 2.046 ± 0.0101 at 25°C.
- Executive summary:
The partition Coefficient n-octanol/water of o-anisic acid(CAS No.579-75-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were Phenoxyacetic acid, toluene, ethylbenzene and allyl phenyl ether having Pow value ranging from 1.4 to 3.2. TheLog Pow value was determined to be 2.046 ± 0.0101 at 25°C.
Reference
Test substance |
K |
LogK |
Log Pow by Generalized Calibration Graph |
Mean of logPow ± S.D |
|
Tr1 |
1.154 |
0.2273 |
-0.6435 |
2.0532 |
2.046 ± 0.0101 |
Tr2 |
1.148 |
0.2209 |
-0.6558 |
2.0389 |
|
Description of key information
The partition Coefficient n-octanol/water of o-anisic acid(CAS No.579-75-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were Phenoxyacetic acid, toluene, ethylbenzene and allyl phenyl ether having Pow value ranging from 1.4 to 3.2. TheLog Pow value was determined to be 2.046 ± 0.0101 at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.046
- at the temperature of:
- 25 °C
Additional information
The partition Coefficient n-octanol/water of o-anisic acid(CAS No.579-75-9) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were Phenoxyacetic acid, toluene, ethylbenzene and allyl phenyl ether having Pow value ranging from 1.4 to 3.2. TheLog Pow value was determined to be 2.046 ± 0.0101 at 25°C.
Other supporting study from reliable sources such as handbooks and authoritative database ,the Log P (octanol-water) value of chemical2-methoxybenzoic acid was determined to be 1.59
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of Log Pow as 2.046 at 25 degree C thus considered as key study for the chemical safety assessment.
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