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

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

experimental study

Adequacy of study:

key study

Study period:

02 April 2004 - 06 August 2004

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2004

Report date:

2004

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)

GLP compliance:

yes

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

Radiolabelling:

no

Study design

Analytical monitoring:

yes

Details on sampling:

Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 0.2 g/L in the three buffer sultions. A 1 % co-solvent of acetonitrile was used to aid solubility.
The solutions were shielded from light whilst maintained at the test temperature.

Buffers:

pH 4: Potassium hydrogen phthalate (5.0 mmol/L)

pH 7: Disodium hydrogen orthophosphate (4.0 mmol/L)
Potassium dihydrogen orthophosphat (2.0 mmol/L)
Sodium chloride (2.0 mmol/L)

pH 9: Disodium tetraborate (1.0 mmol/L)
Sodium chloride (2.0 mmol/L)

Duration of test

Duration of test 1

Duration:

120 h

pH:

4

Temp.:

50 °C

Initial conc. measured:

ca. 0.201 g/L

Duration of test 2

Duration:

120 h

pH:

7

Temp.:

50 °C

Initial conc. measured:

ca. 0.206 g/L

Duration of test 3

Duration:

168 h

pH:

11

Temp.:

50 °C

Initial conc. measured:

ca. 0.202 g/L

Results and discussion

Transformation products:

not measured

Total recovery of test substance (in %)

Total recovery of test substance (in %) 1

% Recovery:

ca. 100

pH:

4

Temp.:

50 °C

Duration:

ca. 120 h

Total recovery of test substance (in %) 2

% Recovery:

ca. 100

pH:

7

Temp.:

50 °C

Duration:

ca. 120 h

Total recovery of test substance (in %) 3

% Recovery:

ca. 66.9

pH:

9

Temp.:

50 °C

Duration:

ca. 120 h

Total recovery of test substance (in %) 4

% Recovery:

ca. 67.4

pH:

9

Temp.:

50 °C

Duration:

ca. 168 h

Dissipation DT50 of parent compound

Dissipation DT50 of parent compound 1

Key result

pH:

4

Temp.:

25 °C

DT50:

> 1 yr

Dissipation DT50 of parent compound 2

Key result

pH:

7

Temp.:

25 °C

DT50:

> 1 yr

Dissipation DT50 of parent compound 3

Key result

pH:

9

Temp.:

25 °C

DT50:

> 1 yr

Applicant's summary and conclusion

Validity criteria fulfilled:

yes