Registration Dossier

Administrative data

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

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013

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:
1-methyltrimethylene dimethacrylate
EC Number:
214-711-0
EC Name:
1-methyltrimethylene dimethacrylate
Cas Number:
1189-08-8
Molecular formula:
C12H18O4
IUPAC Name:
butane-1,3-diyl bis(2-methylacrylate)
Test material form:
not specified
Details on test material:
- Name of test material (as cited in study report): 1,3-Butanediol dimethacrylate, 1,3-BDDMA
- Smiles notation: O=C(OCCC(OC(=O)C(=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: 26.7%
Water: 9.76%
Soil: 63.5%
Sediment: 0.045%

Release 100% to water:
Air: 0.00626%
Water: 99.5%
Soil: 0.0149%
Sediment: 0.459%

Any other information on results incl. tables

Level III Fugacity Model:

Emission to air:

 

Mass Amount

(percent)       

Half-Life

(hr)      

Emissions

(kg/hr)

Air      

26.7

5.11

1000

Water    

9.76

360

0

Soil     

63.5

720

0

Sediment 

0.045

3.24e+03

0

 Persistence Time: 25.2 hr

 

 

Emission to water:

 

Mass Amount

(percent)       

Half-Life

(hr)      

Emissions

(kg/hr)

Air      

0.00626

5.11

0

Water    

99.5

360

1000

Soil     

0.0149

720

0

Sediment 

0.459

3.24e+03

0

Persistence Time: 342 hr

 

 

Release 100% to air

Release 100% to water

Air      

26.7

0.00626

Water    

9.76

99.5

Soil     

63.5

0.0149

Sediment 

0.045

0.459

 

The potential environmental distribution of 1,3-BDDMA obtained from a generic level III fugacity model under two emission scenarios is shown in the table. 

The results show that if 1,3-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 1,3-BDDMA has been modelled using EPIWEB version 4.1.
The results show that if 1,3-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.