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Diss Factsheets

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

Constituent 1
Chemical structure
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

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