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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April 2005
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Based on the OECD Test Guideline 107 (Paris, 1981), as published in “Anhang V zur RL 67/548/ EWG”
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Principles of method if other than guideline:
Protease activity was measured using an activity test based on the cleavage of Suc-AAPF-pNA (Henkel Biotechnology Method 400.2)
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
other: Protease activity was measured using an activity test based on the cleavage of Suc-AAPF-pNA (Henkel Biotechnology Method 400.2)
Type:
log Pow
Partition coefficient:
-3.1
Temp.:
25 °C
pH:
9.2
Remarks on result:
other: pH of water phase after shaking
Conclusions:
The octanol-water coefficient (logPow) is <= -3.1.
Executive summary:

The partition coefficient was measured based on the OECD Test Guideline 107 (Paris, 1981), as published in “Anhang V zur RL 67/548/ EWG”. After shaking and phase separation, the amount of active protein was determined using an activity test as stated above. In the octanol phase, no activity was detectable. Therefore, the detection limit of the activity test was used as the maximal concentration of active protein present in the octanol phase.

The octanol-water coefficient (logPow) is <= -3.1.

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:
refer to analogue justification provided in IUCLID section 13
Reason / purpose:
read-across source
Type:
log Pow
Partition coefficient:
-3.1
Temp.:
25 °C
pH:
9.2
Remarks on result:
other:
Remarks:
pH of water phase after shaking. Source: CAS 9014-01-1, HERA, 2007, RL1
Conclusions:
The octanol-water coefficient (log Pow) of Thermomycolin is <= -3.1.
Executive summary:

Details for testing of source substance Subtilisin, CAS 9014 -01 -1.

The partition coefficient was measured based on the OECD Test Guideline 107 (Paris, 1981), as published in “Anhang V zur RL 67/548/ EWG”. After shaking and phase separation, the amount of active protein was determined using an activity test as stated above. In the octanol phase, no activity was detectable. Therefore, the detection limit of the activity test was used as the maximal concentration of active protein present in the octanol phase. The octanol-water coefficient (logPow) is <= -3.1.

Thermomycolin shares the same structural features as Subtilisin as explained in the Analogue Approach Justification document provided in Section 13. Thus, based on the read-across from the structural analogue substance Subtilisin (CAS 9014-01-0), the target substance Thermomycolin (CAS 52233-31-5) is considered to possess the same octanol-water coefficient (logPow) as the source.

Description of key information

The octanol-water partition coefficient (logPow) for the test substance is <= -3.1 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.1
at the temperature of:
25 °C

Additional information

In the octanol phase, no active protein was detectable, therefore, the detection limit of the test method was used as a maximum concentration, giving a log Pow of -3.1.