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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from modelling databases.
Qualifier:
according to guideline
Guideline:
other: refer principle below
Principles of method if other than guideline:
To estimate octanol water partition coefficent of test chemical 2-methylanisole ( CAS no. 578-58-5)
GLP compliance:
not specified
Type of method:
other: estimated
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material: 2-methylanisole
- IUPAC name: 1-methoxy-2-methylbenzene
- Molecular formula: C8H10O
- Molecular weight: 122.166 g/mole
- Smiles : COc1ccccc1C
- Inchl: 1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
- Substance type: Organic
- Physical state: Liquid (Colorless)
Key result
Type:
log Pow
Partition coefficient:
2.74
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
The octanol water partition coefficent (log Pow) of chemical 2-methylanisole was estimated to be 2.74 at temperature 25 oC.
Executive summary:

The octanol water partition coefficent (log Pow) of chemical 2-methylanisole (CAS no. 578 -58 -5) was estimated to be 2.74 at temparature 25oC. By this log Pow value chemical 2-methylanisole is considered as hydrophilic in nature.

Description of key information

The partition coefficient (n-octanol/water) of test substance 2-Methylanisole (578-58-5) was determined as per the HPLC method.

(OECD Guideline-117). The Log Pow value was determined to be 3.000 ± 0.001 dimensionless at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3
at the temperature of:
25 °C

Additional information

Based on the key study from study report,the partition Coefficient n-octanol/water of test chmeical2-Methylanisole (578-58-5)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 estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were having Pow value ranging from1.3 to 4.6.The Log Pow value was determined to be3.000 ± 0.001dimensionless at 25°C. This value indicates that the substance2-Methylanisole (578-58-5)is hydrophilic in nature.

In a supporting study from authoritative & modelling database and secondary source,the octanol water partition coefficent (log Pow) of chemical 2-methylanisole (CAS no. 578 -58 -5) was estimated to be 2.74 at temparature 25°C

By this log Pow value chemical 2-methylanisole is considered as hydrophilic in nature.

Thus, based on the available information, the log Pow value of the test chemical was determined to be range from 2.74to 3.000. On the basis of this value, test chemical can be considered to be hydrophilic in nature.