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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Principles of method if other than guideline:
The partition coefficient is estimate from the solubiliy of the substance in methanol and in water:

P estimate = saturation in n-octanol/ saturation in water
GLP compliance:
no
Type of method:
other: estimated by calculation
Partition coefficient type:
octanol-water
Key result
Type:
Pow
Partition coefficient:
<= 0
Temp.:
22 °C
pH:
>= 7.4 - <= 7.5
Type:
log Pow
Partition coefficient:
<= -3.3
Temp.:
22 °C
pH:
>= 7.4 - <= 7.5

It is not possible to define an active substance therefore a sperimental method to calcultate the partition coefficient can not be performed.

In accordance with Column 2 of REACH Annex VII, the partition coefficient (required in section 7.8) could be estimated from the solubility results, therefore:

Pow (estimate) = Coctanol / Cwater = 250.6 / 500,000 = 5.0 E -04

LogPow = Log (5.0 E-04) = -3.3

where

Coctanol: < 250.6 mg/L [from section 4.9 the solubility in methanol is 250.6 mg/L. Due the higher polarity of methanol versus n-octanol the real value is minor than 250.6 mg/L]

Cwater: >500,000 mg/L [from section 4.8]

Due the considaration above the calculate value will overestimate the real value.

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.3
at the temperature of:
22 °C

Additional information