4-(2,5,6,6-tetramethylcyclohex-2-enyl)but-3-en-2-one

Biodegradation in water: screening tests

Administrative data

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 301 F (Ready Biodegradability: Manometric Respirometry Test)

Test guideline 2

Qualifier:

according to guideline

Guideline:

other: Revised Introduction to the OECD Guidelines for Testing of Chemicals, Section 3, Part 1, 2006

Test guideline 3

Qualifier:

according to guideline

Guideline:

EU Method C.4-D (Determination of the "Ready" Biodegradability - Manometric Respirometry Test)

Test guideline 4

Qualifier:

according to guideline

Guideline:

other: ECHA Guidance for the implementation of REACH, Guidance on information requirements and chemical safety assessment, Chapter R.7b: Endpoint specific guidance, May 2008 (version 1.1)

Test guideline 5

Qualifier:

according to guideline

Guideline:

EPA OPPTS 835.3110 (Ready Biodegradability)

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

rel-(E)-4-((1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Cas Number:

599-45-1

Molecular formula:

C14H22O

IUPAC Name:

rel-(E)-4-((1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Constituent 2

Reference substance name:

rel-(E)-4-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Cas Number:

472-46-8

Molecular formula:

C14H22O

IUPAC Name:

rel-(E)-4-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

impurity 1

Reference substance name:

3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-

Cas Number:

72074-84-1

Molecular formula:

C14H22O

IUPAC Name:

3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-

impurity 2

Reference substance name:

3-Buten-2-one, 4-(2,2,3,6-tetramethyl-3-cyclohexen-1-yl)-, [1α(E),6α]-

Cas Number:

140632-46-8

Molecular formula:

C14H22O

IUPAC Name:

3-Buten-2-one, 4-(2,2,3,6-tetramethyl-3-cyclohexen-1-yl)-, [1α(E),6α]-

impurity 3

Reference substance name:

4-Penten-2-one, 5-(1,3,4-trimethyl-3-cyclohexen-1-yl)-, (E)-

Cas Number:

162282-94-2

Molecular formula:

C14H22O

IUPAC Name:

4-Penten-2-one, 5-(1,3,4-trimethyl-3-cyclohexen-1-yl)-, (E)-

Specific details on test material used for the study:

Commercial name : Irone alpha
Givaudan Code No. : 6065003
Chemical nature : 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one
Empirical formula : C14H22O
Molecular weight : 206.32 g/mol
CAS No. : 79-69-6
Aspect : colourless to pale yellow liquid
Lot No. : VE00107961
Expiration date : December 20, 2012

Study design

Oxygen conditions:

aerobic

Inoculum or test system:

activated sludge, domestic (adaptation not specified)

Details on inoculum:

Fresh activated sludge from a biological waste water treatment plant treating predominantly domestic sewage (Bois-de-Bay, Satigny, Switzerland) was used.

The sludge is collected in the morning, washed three times in the mineral medium (by centrifuging at 1000 g for 10 minutes, discarding the supernatant and resuspending in mineral medium) and kept aerobic until being used on the same day.

Duration of test (contact time):

70 d

Initial test substance concentration

Initial conc.:

30 mg/L

Based on:

test mat.

Parameter followed for biodegradation estimation

Parameter followed for biodegradation estimation:

O2 consumption

Details on study design:

A measured volume of inoculated mineral medium, containing a known concentration of test substance as the nominal sole source of organic carbon, is stirred in a closed flask at a constant temperature (± 1 °C) for up to 28 days. Evolved carbon dioxide is absorbed in sodium hydroxide pellets. The consumption of oxygen is determined by measuring the pressure drop in the respirometer flask. The Biological Oxygen Demand (BOD), amount of oxygen taken up by the microbial population during biodegradation of the test chemical (corrected for uptake by blank inoculum, run in parallel) is expressed as a percentage of ThOD (Theoretical Oxygen Demand, calculated from the elemental composition, assuming that carbon is oxidized to carbon dioxide, hydrogen to water and nitrogen to ammonium, nitrite or nitrate).

Reference substance

Reference substance:

benzoic acid, sodium salt

Results and discussion

% Degradation

% Degradation 1

Parameter:

% degradation (O2 consumption)

Value:

8

Sampling time:

28 d

% Degradation 2

Parameter:

% degradation (O2 consumption)

Value:

17

Sampling time:

56 d

% Degradation 3

Parameter:

% degradation (O2 consumption)

Value:

18

Sampling time:

70 d

BOD5 / COD results

Results with reference substance:

Oxygen uptakes, as read on the Oxitop controller, are corrected to account for the small differences between actual and nominal concentrations of test and reference substances.

Degradation of sodium benzoate exceeded 40 % after 7 days and 65 % after 14 days: the activity of the inoculum was thus verified (validity criterion).

The repeatability validity criterion (not more than 20% difference between replicates) is fulfilled. Therefore, the test is considered valid.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Interpretation of results:

not readily biodegradable

Conclusions:

The Ready Biodegradability of Irone alpha was determined by the Manometric Respirometry Test.

Irone alpha undergoes 8 % biodegradation after 28 days (17 % after 56 days, 18 % after 70 days) in the test conditions. The 10-day window criterion is not fulfilled.

Irone alpha did not significantly inhibit the intrinsic respiration of the inoculum at the test concentration and was therefore considered to be non-toxic to the inoculum at the test concentration.

Thus, Irone alpha should be regarded as not readily biodegradable according to this test.