Tar acids (shale oil), C6-9-fraction, alkylphenols

Biodegradation in water: screening tests

Administrative data

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

13 April 2004

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Data source

Reference

Reference Type:

other:

Title:

SRC EPIWIN v3.10

Year:

2004

Bibliographic source:

Estimation Programs Interface Suite for Microsoft® Windows, v 3.10. United States Environmental Protection Agency, Washington, DC, USA.

Report date:

2004

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

other: Q(SAR)

Test material

Test material information

Constituent 1

Reference substance name:

5-methylresorcinol

EC Number:

207-984-2

EC Name:

5-methylresorcinol

Cas Number:

504-15-4

Molecular formula:

C7H8O2

IUPAC Name:

5-methylbenzene-1,3-diol

Constituent 2

Reference substance name:

Resorcinol

EC Number:

203-585-2

EC Name:

Resorcinol

Cas Number:

108-46-3

Molecular formula:

C6H6O2

IUPAC Name:

benzene-1,3-diol

Constituent 3

Reference substance name:

2,5-dimethylresorcinol

EC Number:

207-688-3

EC Name:

2,5-dimethylresorcinol

Cas Number:

488-87-9

Molecular formula:

C8H10O2

IUPAC Name:

2,5-dimethylbenzene-1,3-diol

Constituent 4

Reference substance name:

2-methylresorcinol

EC Number:

210-155-8

EC Name:

2-methylresorcinol

Cas Number:

608-25-3

Molecular formula:

C7H8O2

IUPAC Name:

2-methylbenzene-1,3-diol

Constituent 5

Reference substance name:

4-methylresorcinol

EC Number:

207-827-8

EC Name:

4-methylresorcinol

Cas Number:

496-73-1

Molecular formula:

C7H8O2

IUPAC Name:

4-methylbenzene-1,3-diol

Constituent 6

Reference substance name:

4,5-dimethylbenzene-1,3-diol

EC Number:

610-895-5

Cas Number:

527-55-9

Molecular formula:

C8H10O2

IUPAC Name:

4,5-dimethylbenzene-1,3-diol

Constituent 7

Reference substance name:

5-ethylbenzene-1,3-diol

Cas Number:

4299-72-3

Molecular formula:

C8H10O2

IUPAC Name:

5-ethylbenzene-1,3-diol

Constituent 8

Reference substance name:

2-ethyl-5-methylbenzene-1,3-diol

Cas Number:

27465-63-0

Molecular formula:

C9H12O2

IUPAC Name:

2-ethyl-5-methylbenzene-1,3-diol

Constituent 9

Reference substance name:

5-ethyl-2-methylbenzene-1,3-diol

Cas Number:

34745-52-3

Molecular formula:

C9H12O2

IUPAC Name:

5-ethyl-2-methylbenzene-1,3-diol

Constituent 10

Reference substance name:

2,4,5-trimethylbenzene-1,3-diol

Cas Number:

20427-81-0

Molecular formula:

C9H12O2

IUPAC Name:

2,4,5-trimethylbenzene-1,3-diol

Constituent 11

Reference substance name:

2,4-dimethylresorcinol

EC Number:

211-213-5

EC Name:

2,4-dimethylresorcinol

Cas Number:

634-65-1

Molecular formula:

C8H10O2

IUPAC Name:

2,4-dimethylbenzene-1,3-diol

Constituent 12

Reference substance name:

Phenol

EC Number:

203-632-7

EC Name:

Phenol

Cas Number:

108-95-2

Molecular formula:

C6H6O

IUPAC Name:

phenol

Constituent 13

Reference substance name:

Cresol

EC Number:

215-293-2

EC Name:

Cresol

Cas Number:

1319-77-3

Molecular formula:

C7H8O

IUPAC Name:

cresol

Constituent 14

Reference substance name:

not applicable

Molecular formula:

not applicable

IUPAC Name:

not applicable

Test material form:

liquid

Details on test material:

Sponsor's identification: Total shale oil phenols
Description: dark brown extremely viscous liquiy
Batch number: Part No. 3
Date received: 30 January 2004
Storage conditions: room temperature, in the dark

Results and discussion

% Degradation

Key result

Parameter:

probability of ready biodegradability (QSAR/QSPR)

Value:

0.87

Sampling time:

14 d

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Interpretation of results:

inherently biodegradable

Executive summary:

Expected to show significantlevels of degradability, but may not be readily biodegradable.