Reaction products of 7-hydroxy-3,7-dimethyloctanal and methyl 2-aminobenzoate

Partition coefficient

Link to relevant study record(s)

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.