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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
31/05/2017 - 31/05/2017
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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
To determine the partition coefficient value of test chemical. The study was performed in accordance with standard OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method).
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.818
Temp.:
25 °C
pH:
5.7
Remarks on result:
other: no other details available
Details on results:
The Partition coefficient (Pow) of the test chemical was determined to be 3.8180 ± 0.000 at 25°C

Test substance

 

K

Log k

Log Pow by Generalized Calibration

Graph

Mean of Log Pow ± S.D.

tR1

2.861

2.0425

0.3102

3.8180

3.8180±0.000

tR2

2.861

2.0425

0.3102

3.8180

Conclusions:
The partition coefficient(n-octanol/water) of test substance Phenethyl benzoate (CAS No. 94-47-3) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.8180 ± 0.000 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of Phenethyl benzoate(CAS No.94-47-3) 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 similarity with the test substance and calibration graph was prepared . The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 2.1 to 4.6. The Log Pow value was found to be 3.8180 ± 0.000 at 25°C. This value indicates that the substancde is hydrophobic in nature which is also supported by its water solubility.

Description of key information

Based on the key study from study report, the partition Coefficient n-octanol/water of Phenethyl benzoate(CAS No.94-47-3) 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 similarity with the test substance and calibration graph was prepared . The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 2.1 to 4.6. The Log Pow value was determined to be 3.8180 ± 0.000 at 25°C. This value indicates that the substancde is hydrophobic in nature which is also supported by its water solubility.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.81
at the temperature of:
25 °C

Additional information

Based on the key study from study report, the partition Coefficient n-octanol/water of Phenethyl benzoate(CAS No.94-47-3) 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 similarity with the test substance and calibration graph was prepared . The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 2.1 to 4.6. The Log Pow value was determined to be 3.8180 ± 0.000 at 25°C. This value indicates that the substancde is hydrophobic in nature which is also supported by its water solubility.

In a supporting study from authoritatibe & modelling database and secondary source, the octanol water Partition coefficient of test chemical Phenethyl benzoate ( CAS no. 94-47-3) was determined to be 4.01. Based on this value, test chemical is considered to be hydrophobic in nature.

Thus, based on the available information, the logKow value of the test chemical was determined to be ranges from 3.818 to 4.01. On the basis of this value, test chemical can be considered to be hydrophobic in nature.