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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
other: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Study period:
2014-2015
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Remarks:
The complete read across justification is detailed in section 13. Source study has reliability 1.
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 105 (Water solubility)
Principles of method if other than guideline:
Based on the differences in solubility of test item in water and in n-octanol, the log Pow determination corresponding to the OECD guideline 107 (shake flask method) is not feasible.
As test item cannot be chromatographed under the prescribed conditions, the HPLC-method (OECD guideline 117) is also not feasible.
Accordingly, log Pow can only be estimated from single solubilities of test item in water and in n-octanol.
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
log Pow
Partition coefficient:
-5.3
Temp.:
20 °C
pH:
7
Remarks on result:
other: pH value of water solubility

The n-octanol solubility of test item at T = 20.0 ± 0.5 °C is 0.68 ± 0.13 mg/l.

Estimation of log Pow

With a water solubility of 136 g/l (see GLP-study no.14L00319 from BASF referred to section 4.8) and a solubility of 0.68 mg/l in n-octanol, the log Pow can be estimated from single solubilities as:

Pow = C(n-octanol) / C(water) = 0.68 mg/l / 136000 mg/l= 5E-6

log Pow = -5.3

Conclusions:
Partition coefficient of test substance was estimated to be log Pow= -5.3 at 20 °C and pH 7.
Executive summary:

Method

Estimation of partition coefficient by individual solubilities of test item in water and in n-octanol.

Results

log Pow = -5.3 at 20 °C and pH 7.

Endpoint:
partition coefficient
Type of information:
other: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Remarks:
The complete read across justification is detailed in section 13. Test substance is an isomer of the substance under registration; structural difference is not expected to significantly impact physicochemical properties. Source study has reliability 2: only limited information available from a migrated NONS file, as per Article 25(3) request.
Qualifier:
according to guideline
Guideline:
other: EU Method A.8
Principles of method if other than guideline:
No available information on the method used.
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
not specified
Type:
log Pow
Partition coefficient:
ca. -3
Remarks on result:
other: no data on pH and T

No other available information.

Conclusions:
logPow = -3
Executive summary:

Method

The test has been conducted according to EU method A.8. No other information on method is available.

Available information derives from a migrated NONS file, as per Article 25(3) request, and permission to refer is granted by ECHA.

Results

logPow = -3.

Description of key information

Negative: high affinity for the water phase.

Key value for chemical safety assessment

Log Kow (Log Pow):
-3
at the temperature of:
20 °C

Additional information