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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Reference
Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
REPORTING FORMAT FOR THE ANALOGUE APPROACH

1. HYPOTHESIS FOR THE ANALOGUE APPROACH

Partition coefficient is only relevant for organic substances and as this substance is organometallic this endpoint is not relevant for the inorganic component of the substance. The Kow value for the organic component of the substance is therefore provided to provide information on the partitioning behaviour of this part of the substance.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)

Source: Acetylacetone; pentane-2,4-dione
Target: Dicarbonyl(pentane-2,4-dionato-O,O')rhodium

3. ANALOGUE APPROACH JUSTIFICATION

This substance is organometallic and therefore partition coefficient is only relevant for the organic component of the substance. The Kow value is therefore read across from Acetylacetone; pentane-2,4-dione, the organic component of the substance. This approach is justified as the Kow value is read across from the organic component of the substance and provides sufficient information on the partitioning behaviour of this component. As this is the only component of this substance for which a Kow value is relevant this is considered to be an acceptable approach.
Reason / purpose for cross-reference:
read-across source
Type:
log Pow
Partition coefficient:
0.4
Temp.:
20 °C
Remarks on result:
other: temperature assumed
Conclusions:
The log Kow of acetylacetone is 0.40 at an assumed temperature of 20 °C.
Executive summary:

This information is taken from a reliable, peer-reviewed handbook and is suitable for use as the key study for this endpoint.

The log Kow of acetylacetone is 0.40 at an assumed temperature of 20 °C.

Description of key information

Partition coefficient is not a relevant endpoint for inorganic substances. As this substance is organometallic the partition coefficient of the organic component only has been included. The log Kow of acetylacetone, the organic component of the substance, is 0.40.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.4
at the temperature of:
20 °C

Additional information

Partition coefficient is not a relevant endpoint for inorganic substances. As this substance is organometallic the partition coefficient of the organic component only has been included. Exploring QSAR, Hydrophobic, Electric, and Steric Constants by Hansch (1995) is a peer-reviewed handbook and is considered reliable and suitable for use as the key study for this endpoint.

The log Kow of acetylacetone, the organic component of the substance, is 0.40.