Registration Dossier

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Not readily biodegradable according to OECD criteria.

Additional information

A respirometer test according to OECD guideline 301 F performed by BASF (1981) shows a biodegradion rate of 10 - 30 % after 28 days. This result is supported by a QSAR estimation carried out with CATALOGIC 301 C (v10.14 June,2017). A biodegradation of 2% after 28 is estimated. The prediction is considered as reliable since the molecule falls into parametric, structural and metabolic domain of the model. The substance is therefore assessed in a weight-of-evidence approach as not readily biodegradable according to OECD criteria.

Metabolites potentially formed during biodegradation of 1,3 -dioxepane were also modelled using CATALOGIC 301C and are listed in the following table

Level

Quantity

LogKow

Smiles

BOD

0

0.9821

0.6749

C1CCCOCO1

0.02

1

8.95E-08

-0.8634

OC1CCCOCO1

0.93

1

8.95E-13

-0.8634

OC1OCCCCO1

0.98

2

8.95E-08

-1.4140

OCOCCCC=O

0.93

2

8.95E-08

-0.1657

OCCCCOC=O

0.98

3

8.95E-08

-1.1613

OCOCCCC(O)=O

0.93

3

8.95E-08

0.0953

OCCCCOC(O)=O

0.98

4

8.95E-08

-0.3958

OCCCC(O)=O

0.91

4

8.95E-08

0.3500

C=O

1.00

4

8.95E-08

0.0706

OC(=O)OCCCC=O

0.98

5

8.95E-08

-0.4205

OC(=O)CCC=O

0.91

5

8.95E-08

-0.4605

OC=O

1.00

5

8.95E-08

-0.2632

OC(=O)CCCOC(O)=O

0.97

6

0.0009204

-0.7543

OC(=O)CCC(O)=O

0.90

6

8.95E-08

-0.4782

OC(=O)C=CCOC(O)=O

0.97

7

8.03E-08

0.5779

CCC(O)=O

1.00

7

8.95E-08

-1.8015

OC(CC(O)=O)COC(O)=O

0.97

8

8.95E-05

-1.8129

OC(=O)CC(=O)COC(O)=O

0.97

9

0.000984

-1.2454

OC(=O)COC(O)=O

0.91

9

8.95E-08

0.0868

CC(O)=O

1.00

10

7.96E-08

-1.0666

OCC(O)=O

1.00

11

7.96E-08

-1.4027

OC(=O)C=O

1.00

12

7.96E-08

-1.7365

OC(=O)C(O)=O

1.00

Considering the BOD predictions and the estimated Log Kow values, it is assumed that no one of the predicted potential metabolites can be identified as relevant degradation product in terms of PBT/vPvB assessment.