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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
The salts are produced from the parent acid; [Hexane-1,6-diylbis[nitrilo(methylene)]]tetrakisphos-phonic acid. The read-across is therefore based on the presence of common functional groups in both the acid and the salt . The impurity profile of the salt is expected to be similar to that of the parent acid since the salt is prepared from the acid.
Reason / purpose:
read-across source
Type:
log Pow
Partition coefficient:
-4.7
Remarks on result:
other: No information on pH and temperature stated
Type:
Pow
Partition coefficient:
0
Remarks on result:
other: No information on pH and temperature stated
Type:
log Pow
Partition coefficient:
0
Remarks on result:
other: No information on pH and temperature stated
Type:
log Pow
Partition coefficient:
-4.1
Remarks on result:
other: No information on pH and temperature stated
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The study was conducted according to a test protocol that is comparable to the appropriate test guideline. It was not compliant with GLP.
Principles of method if other than guideline:
Method: other (measured): Monsanto Environmental Sciences method ES-79-M-15
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
other: Liquid scintillation counting
Type:
log Pow
Partition coefficient:
-4.7
Remarks on result:
other: No information on pH and temperature stated
Key result
Type:
Pow
Partition coefficient:
0
Remarks on result:
other: No information on pH and temperature stated
Key result
Type:
log Pow
Partition coefficient:
0
Remarks on result:
other: No information on pH and temperature stated
Type:
log Pow
Partition coefficient:
-4.1
Remarks on result:
other: No information on pH and temperature stated
Details on results:
The measured P values indicate that the Dequest phosphonates are very hydrophilic materials

Table 1: measured octanol/water partition coefficients

Dequest

Concentration in water (ppm)

Measured octanol/water partition coefficient

2051

100

2 x 10-5

100

2 x 10-5

100

2 x 10-5

1000

8.9 x 10-5

Log Kow at 100 ppm = -4.7

log kow at 1000 ppm = -4.1

Conclusions:
A measured Kow values of 2.0E-05 and 8.9E-5 were determined at 100ppm and 1000ppm respectively in a reliable study conducted according to generally accepted scientific principles.

Description of key information

Octanol-water partition coefficient: <-4.7

Key value for chemical safety assessment

Log Kow (Log Pow):
-4.7

Additional information

A log Kow value of -4.7 and -4.1 at 100 ppm and 1000 ppm respectively were reported in a reliable study conducted according to generally accepted scientific principles comparable to an appropriate test guideline. Method has been adequately described in the report. The result is considered to be reliable and has been assigned as key study. This value was read-across to the salt from HMDTMP parent acid. This is supported by a predicted value of≤-4 using a relevant estimation method.

In a secondary source, log Kow value of -4.4 is reported in a summary of analytical data, full details are not available and the reliability is unassignable. The resut is in agreement with the key study.