Registration Dossier

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
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:
4-[(2-methylprop-2-enoyl)oxy]butan-2-yl 2-methylprop-2-enoate
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.

Categories Display