Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 946-979-6
CAS number: -
Estimation of partition coefficient:
Estimated log Pow = Not determined.
Comment: As the test item is
multi-component, and fully miscible in both water and octanol, testing
using the standard shake flask method would not be possible. It was
decided to try and determine the partition coefficient for each
component using the HPLC method. A calibration graph is generated using
the retention time of reference materials with known Log Pow values.
It is recommended that the test materials
are run in a non-ionised form. Due to the basic nature of the
2-(2-aminoethoxy)ethanol and the 2,2’,2’’-nitrilotriethanol, it was not
possible to use a pH value for the mobile phase that would maintain
these products in a nonionised form and not be detrimental to the HPLC
column. Consequently the analysis was run using acidic conditions that
would allow the acids present to be in a non-ionised form.
At the time of testing it was not possible
to obtain a marker for the isononanoic acid. It is thought that given
the data obtained, the peak having a retention time of 5.66 minutes
possibly corresponds to that of isononanoic acid.
An HPLC method was developed and a
calibration curve was generated by plotting the mean Log K value of
reference materials against their Log Pow values. The followingreference
materials were used:
Retention time: Thiourea 0.87; Acetanilide
1.33; Acetophenone 2.56; Toluene 6.84; Ethyl benzene 11.42; Isopropyl
N.B. Thiourea is traditionally used to
obtain the retention of a non-retained product.
The retention times were also obtained for
the following reference markers:
Retention time: 2-(2-aminoethoxy)ethanol
0.83; 2,2’,2’’-nitrilotriethanol (Triethanolamine) 1.37; heptanoic acid
N.B. The retention times for the
2-(2-aminoethoxy)ethanol and 2,2’,2’’-nitrilotriethanol
were slightly less than that for the
non-retained peak (thiourea). This would imply that the Log Pow values
for these products, under acidic conditions, is less than zero. The HPLC
partition coefficient method is suitable for Log Pow values in the range
0 to 6.
The following retention times were obtained
for the four main peaks in the supplied test material. The Log Pow
values were calculated using the calibration curve.
In an ideal situation it would be possible
to have reference material with known Log Pow values that are similar to
the products being tested. However as the test material contains
components having both acidic or basic functionalities, this was not
possible. Consequently the test was run against neutral materials under
acidic conditions. It should be noted that the resultant Log Pow values
are only applicable to the test material under acidic conditions.
Partition coefficient (log Pow, 20°C): <0 –
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
Welcome to the ECHA website. This site is not fully supported in Internet Explorer 7 (and earlier versions). Please upgrade your Internet Explorer to a newer version.
Do not show this message again