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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

Environmental fate & pathways

Distribution modelling

Currently viewing:

Administrative data

Endpoint:
distribution modelling
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Cross-reference
Reason / purpose for cross-reference:
read-across: supporting information
Reference
Endpoint:
distribution modelling
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:
accepted calculation method
Justification for type of information:
Phthalic acid was used as the source for the read across as phthalic anhydride rapidly hydrolyses.
For further information see attached document:
Justification for a read-across between phthalic acid and phthalic anhydride
Reason / purpose for cross-reference:
read-across source
Air (%):
0
Water (%):
99.91
Soil (%):
0.04
Sediment (%):
0.04
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2004
Report date:
2004

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
Release year:
1 999
Media:
other: air - biota - sediment(s) - soil - water - aerosol

Test material

Constituent 1
Chemical structure
Reference substance name:
Phthalic acid
EC Number:
201-873-2
EC Name:
Phthalic acid
Cas Number:
88-99-3
Molecular formula:
C8H6O4
IUPAC Name:
phthalic acid

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
99.91
Soil (%):
0.04
Sediment (%):
0.04
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

 In the model phthalic acid is treated as a type 1 chemical, i.e. the chemical
 partitions into all environmental media.
 Estimation is carried at an environmental temperature of 25 °C.
RS-Freetext:
Based on the model calculations (Mackay level I, v 2.11) the target  compartment of the environmental distribution of
phthalic acid is the hydrosphere.
Water:		  99.91 %		
Air:		   <0.001 %
Sediment:	   0.043 %
Soil:		   0.042 %
Susp. Sed.:	   <0.001 %
Aerosol:	   <0.001 %
Aquatic Biota:	   <0.001 %

Applicant's summary and conclusion

Executive summary:

Calculation of the distribution of phthalic anhydride in the environment according to the Mackay fugacity model, is not suitable because the substance hydrolyses rapidly in water. The Mackay model does not consider degradation reactions, hence the Mackay equilibrium distribution of phthalic anhydride in the environment is not appropriate.

The distribution of the hydrolysis product phthalic acid in a "unit world" was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for phthalic acid is water with 99.91 %, followed by soil and sediment with 0.042 and 0.043%, respectively (Bayer Industry Services, 2004).