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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:
The study was conducted on 28 April 1999.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
ca. 1.3
Temp.:
35 °C
Remarks on result:
other: Aurantiol Pure is a multi-component reaction mixture, and there are several log Pow values.
Remarks:
This peak is assigned to the starting material hydroxycitronellal, still present in the mixture.
Type:
log Pow
Partition coefficient:
ca. 1.8
Temp.:
35 °C
Remarks on result:
other: Aurantiol Pure is a multi-component reaction mixture, and there are several log Pow values.
Remarks:
This peak is assigned to the starting material methyl anthranilate, still present in the mixture.
Type:
log Pow
Partition coefficient:
ca. 4.8
Temp.:
35 °C
Remarks on result:
other: Aurantiol Pure is a multi-component reaction mixture, and there are several log Pow values.
Remarks:
Thus peak represents the condensation product.
Details on results:
Aurantiol Pure is a multi-component reaction mixture, therefore there are several log Pow values reported. Peaks 1 and 2 corresponding to log Pow of 1.3 and 1.8 can be assigned to the starting materials hydroxycitronellal and methyl anthranilate respectively, still present in the mixture. Peak 3 represents the condensation product, corresponding to log Pow of 4.8. Testing was performed at 35°C (column temperature), however the values can be considered to represent the values at an unspecified ambient temperature.
Conclusions:
Peaks 1 and 2 corresponding to log Pow of 1.3 and 1.8 can be assigned to the starting materials hydroxycitronellal and methyl anthranilate respectively, still present in the mixture. Peak 3 represents the condensation product, corresponding to log Pow of 4.8.
The partition coefficients n-octanol/water of the components of Aurantiol Pure are log Pow = 1.3, 1.8, 4.8.
Executive summary:

The partition coefficient n-octanol/water of Aurantiol Pure was determined by the reverse HPLC method according to OECD guideline 117.

Aurantiol Pure is a multi-component reaction mixture. The partition coefficients n-octanol/water of the components of Aurantiol Pure are log Pow = 1.3, 1.8, 4.8.

Description of key information

The partition coefficient n-octanol/water of Aurantiol Pure was determined by the reverse HPLC method according to OECD guideline 117.

Aurantiol Pure is a multi-component reaction mixture, therefore there are several log Pow values reported. The partition coefficients n-octanol/water of the components of Aurantiol Pure are log Pow = 1.3, 1.8, 4.8. Peaks 1 and 2 corresponding to log Pow of 1.3 and 1.8 can be assigned to the starting materials hydroxycitronellal and methyl anthranilate respectively, still present in the mixture. Peak 3 represents the condensation product, corresponding to log Pow of 4.8.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.8
at the temperature of:
35 °C

Additional information

Based on the known composition of the substance, the above value is assigned to the condensation product(s) in the registered substance.

Testing was performed at 35°C (column temperature), however the values can be considered to represent the values at an unspecified ambient temperature.