Registration Dossier
Registration Dossier
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EC number: 204-634-0 | CAS number: 123-54-6
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method.
Data source
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Media:
- other: air-water-soil-sediment-biota
Test material
- Reference substance name:
- Pentane-2,4-dione
- EC Number:
- 204-634-0
- EC Name:
- Pentane-2,4-dione
- Cas Number:
- 123-54-6
- Molecular formula:
- C5H8O2
- IUPAC Name:
- pentane-2,4-dione
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 10.05
- Water (%):
- 89.77
- Soil (%):
- 0.17
Any other information on results incl. tables
Type : adsorption
Media : water - soil
The water solubility of acetylacetone has been determined to be 166 - 200
g/L at 20°C. In addition with a (measured) partition coefficient of 0.4, soil
adsorption constants were estimated to be in the range of 6 - 28 indicating
high mobility of acetylacetone in soil.
Type : volatility
Media : soil - air
Considering the vapour pressure of approx. 9 hPa, volatilization from dry
surfaces into the atmosphere cannot be excluded.
Type : volatility
Media : water - air
Based on a water solubility of 166 g/L and a vapour pressure of 9.2 hPa, a
Henry's law constant of 0.555 Paxm3/mol can be calculated for
acetylacetone, indicating a slow volatilization from aqueous media.
Applicant's summary and conclusion
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