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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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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:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from modelling database.
Qualifier:
according to guideline
Guideline:
other: Refer principle below
Principles of method if other than guideline:
To estimate octanol water partition Coefficient of test chemical sodium 2-phenylacetate.
GLP compliance:
not specified
Type of method:
other: estimated
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name( IUPAC): sodium 2-phenylacetate
- Name of test material (as cited in study report): Sodium phenylacetate
- Molecular formula C8H8O2.Na
- Molecular weight: 158.1313 g/mol
- Smiles notation : c1(ccccc1)CC(=O)[O-].[Na+]
- InChl: 1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid
Key result
Type:
log Pow
Partition coefficient:
-2.016
Temp.:
25 °C
Remarks on result:
other: other details are not available
Conclusions:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance sodium 2-phenylacetate. The estimated Log Pow is -2.0164. This partition coefficient value indicate that the test substance hydrophilic in nature.
Executive summary:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance sodium 2-phenylacetate. The estimated Log Pow is  -2.0164. This partition coefficient value indicate that the test substance hydrophilic in nature.

Description of key information

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance sodium 2-phenylacetate. The estimated Log Pow is  -2.0164. This partition coefficient value indicate that the test substance hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.016
at the temperature of:
25 °C

Additional information

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance sodium 2-phenylacetate. The estimated Log Pow is  -2.0164. This partition coefficient value indicate that the test substance hydrophilic in nature.