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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: SIDS initial assessment report
Title:
SIDS initial assessment report for SIAM15 tetrahydromethyl -1,3-isobenzofuranedione
Author:
Katsuo K.
Year:
2002
Bibliographic source:
SIDS initial assessment report

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Mackay, level III
Release year:
2 001
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Tetrahydromethylphthalic anhydride
EC Number:
234-290-7
EC Name:
Tetrahydromethylphthalic anhydride
Cas Number:
11070-44-3
Molecular formula:
C9H10O3
IUPAC Name:
3a-methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione
Details on test material:
not applicable

Study design

Test substance input data:
MTHPA dissociation substance
- Molar mass: 184.19
- Data temperature: 25 degree C
- Water solubility: 10500 g/m3
- Vapour pressure:1.75E-3
- log Pow: 1.28

- Reaction half-life estimates for
- Air: 10.04
- Water: 240000
- Soil: 240000
- Sediment: 240000
Environmental properties:
to water

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
99.5
Soil (%):
0
Sediment (%):
0.5
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Tetrahydromethyl-1,3-isobenzofuranedione is considered to be hydrolyzed to 3-methyl-4(or 3)-cyclohexene-1,2-dicarboxylic acid and/or 4-cyclohexene-1,2-dicarboxylic acid in environment. So, the potential environmental distribution of 4-methyl-4-cyclohexene-1,2-dicarboxylic acid (one of the hydrolysate of tetrahydromethyl-1,3-isobenzofuranedion) obtained from a generic level III fugacity model is shown below:

-------------------------------------------------------------------------

Compartment  Release      Release       Release
            100% to air  100% to water 100% to soil

-------------------------------------------------------------------------

Air            0.0 %        0.0 %         0.0 %
Water        31.6 %       99.5 %        26.9 %
Soil          68.3 %        0.0 %        72.9 %
Sediment      0.2 %        0.5 %         0.1 %

For details on results see attachment.

Applicant's summary and conclusion

Executive summary:

It is confirmed that tetrahydromethyl-1,3-isobenzofuranedione hydrolyzes to the corresponding di-carboxylic acid in water.

Therefore, this substance is considered to be hydrolyzed to the corresponding di-carboxylic acids in the environment. These hydrolysis products are considered to be stable in the water phase. The potential environmental distribution of 4-methyl-4-cyclohexene-1,2-dicarboxylic acid (one of the representative hydrolysis product of tetrahydromethyl-1, 3-isobenzofuranedion) is obtained from a generic fugacity model level III relevant for the following figures:

-------------------------------------------------------------------------

Compartment  Release      Release       Release
            100% to air  100% to water 100% to soil

-------------------------------------------------------------------------

Air            0.0 %        0.0 %         0.0 %
Water        31.6 %       99.5 %        26.9 %
Soil          68.3 %        0.0 %        72.9 %
Sediment      0.2 %        0.5 %         0.1 %

For details on results see attachment.