Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Study period:
2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2020

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
A Mackay level III distribution was calculated using the EPI Suite v4.1 (US-EPA)
Release year:
2 010

Test material

Constituent 1
Chemical structure
Reference substance name:
Tetramethylene dimethacrylate
EC Number:
218-218-1
EC Name:
Tetramethylene dimethacrylate
Cas Number:
2082-81-7
Molecular formula:
C12H18O4
IUPAC Name:
butane-1,4-diyl bis(2-methylacrylate)
Specific details on test material used for the study:
- Name of test material (as cited in study report): 1,4-Butanediol dimethacrylate, 1,4-BDDMA
- Smiles notation: O=C(OCCCCOC(=O)C(=C)C)C(=C)C

Results and discussion

Percent distribution in media

Other distribution results:
potential environmental distribution of 1,4-BDDMA obtained from a generic level III fugacity model under two emission scenarios: 
release 100% to air:
Air: 26.5%
Water: 9.45%
Soil: 64%
Sediment: 0.0469%

release 100% to water:
Air: 0.00631%
Water: 99.5%
Soil: 0.0153%
Sediment: 0.494%

Any other information on results incl. tables

Level III Fugacity Model:

Emission to air:

 

Mass Amount

(percent)       

Half-Life

(hr)      

Emissions

(kg/hr)

Air      

26.5

5.16

1000

Water    

9.45

360

0

Soil     

64

720

0

Sediment 

0.0469         

3.24e+03   

0

 Persistence Time: 25.6 h

Emission to water:

 

Mass Amount

(percent)       

Half-Life

(hr)      

Emissions

(kg/hr)

Air      

0.00631        

5.16

0

Water    

99.5

360

1000

Soil     

0.0153

720

0

Sediment 

0.494          

3.24e+03   

0

 Persistence Time: 342 h

 

 

Release 100% to air

Release 100% to water

Air      

26.5

0.00631        

Water    

9.45

99.5

Soil     

64

0.0153

Sediment 

0.0469         

0.494          

The potential environmental distribution of 1,4-BDDMA obtained from a generic level III fugacity model under two emission scenarios is shown in the table. 

The results show that if 1,4-BDDMA is released into air, it mainly distributes to soil. A smaller amount remains in the air or partitions to water. If the substance is released into water, it mainly remains in water. The substance does not have a significant presence in sediment.

Applicant's summary and conclusion

Conclusions:
The environmental distribution (Mackay level III distribution) of 1,4-BDDMA has been modelled using EPIWEB version 4.1.
The results show that if 1,4-BDDMA is released into air, it mainly distributes to soil. A smaller amount remains in the air or partitions to water. If the substance is released into water, it mainly remains in water. The substance does not significantly partition to sediment.