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EC number: 201-494-2 | CAS number: 83-67-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From March 3rd to March 31st, 2016.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- According to EU Method C.4-D. GLP study.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 F (Ready Biodegradability: Manometric Respirometry Test)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.4-D (Determination of the "Ready" Biodegradability - Manometric Respirometry Test)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Lot No M15015C
- Manufacture date of the lot/batch: 01/2015
- Expiration date of the lot/batch: 01/2020
- Analytical purity: 99.8
OTHER SPECIFICS:
- Physical state: solid - Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, adapted
- Details on inoculum:
- - Source: A sample of activated sludge was taken from the aeration tank of Sewage Treatment Plant ”Czajka” , Warsaw, receiving predominantly domestic sewage. - Preparation of inoculum: The coarse particles were removed by settling and the supernatant was discarded. The sludge was washed in the mineral medium. The concentrated sludge was suspended in mineral medium to yield a concentration of 3-5 g suspended solids/l and it was aerated, at the test temperature of 22 °C, until application next day. A sample was withdrawn just before use for the determination of the dry weight of the suspended solids.
- Amount of inoculum suspended: 30 mg/L. - Duration of test (contact time):
- 28 d
- Initial conc.:
- 100 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- O2 consumption
- Remarks:
- (BOD)
- Details on study design:
- TEST CONDITIONS
- pH: 7.4 ± 0.2
- Test temperature: 22 ± 2°C
- Volume of test solution in flask, V: 0.164 L
- Initial test item concentration: 100 mg/L (51.3 mg/L of organic carbon)
- Composition of medium: 10ml of solution (A) in 800 ml water, plus 1 ml solutions (B), (C), (D) and 11mL water. The following stock solutions were used, prepared with analytical grade reagents:
- Solution (A) contains: 8.50 g monopotassium dihydrogen orthophosphate (KH2PO4), 21.75 g dipotassium monohydrogen orthophosphate (K2HPO4), 33.40 g disodium monohydrogen orthophosphate dihydrate (Na2HPO4·2H2O), 0.50 g ammonium chloride (NH4Cl), in 1 L double-distilled water.
- Solution (B) contains: 27.50 g calcium chloride, anhidrous (CaCl2) in 1L water.- Solution (C) contains: 22.50 g magnesium sulphate heptahydrate (MgSO4·7H2O) in 1L water.
- Solution (D) contains: 0.25 g iron(III) chloride hexahydrate (FeCl3·6H2O) in 1L water.
- The water used is double-distilled, containing 3mg/L of organic carbon (< 10% of the organic carbon content introduced by the test item), checked by DOC analysis using spectrophotometer Hach DR 3900 and Hach-Lange reagents.- Suspended solids concentration: 30 mg/L.
TEST SYSTEM
- Number of culture flasks/concentration: triplicates were used, flasks #7, 8, 9, containing test item (100 mg/l) and inoculum 30mg/L SS.
- Measuring equipment: O2 uptake was measured by a closed WTW OxiTop OC 110 repirometer. The data were read out every 112 min during the 28 day test (40 320 min that is 360 readings) and were recorded and stored in the measuring heads of the sample bottles.
CONTROL AND BLANK SYSTEM
- Inoculum blank: flasks #1, 2, 3, containing only inoculum 30mg/L SS.
- Procedure control: flasks #4, 5, 6, containing reference item (sodium acetate 100 mg/l) and inoculum 30mg/L SS.
- Toxicity control: flasks #10, 11, 12, containing test item, reference item and inoculum 30mg/L SS.
STATISTICAL METHODS: The calculations and the graphs were performed using SigmaPlot 9.0 software of SYSTAT Software, Inc., USA purchased from GAMBIT CoiS Ltd, Poland. - Reference substance:
- acetic acid, sodium salt
- Remarks:
- CAS No: 127-09-3, purity ≥ 98.5%, source: Eurochem.
- Key result
- Parameter:
- other: BOD/ThOD
- Value:
- 100
- Sampling time:
- 28 d
- Details on results:
- After correction for oxygen uptake for nitrification and for the blank inoculum control, a 100 % of degradation was calculated on day 28.
- Results with reference substance:
- The reference item reached 75.5% biodegradation after 28d.
- Validity criteria fulfilled:
- yes
- Remarks:
- See overall remarks.
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Theobromine was completely degraded (100%) within 28 days based on the BOD and ThOD. The test substance can be considered readily biodegradable.
- Executive summary:
A 28-day ready aerobic biodegradability test through the manometric respirometry method was performed with theobromine according to OECD 301F / EC C.4 – D under GLP conditions. 100 mg/L of test item was inoculated with adapted activated sludge (30 mg/L SS) and incubated under aerobic conditions in a closed respirometer flask at constant temperature 22ºC(± 2) for 28 days. A blank test, a procedure test with reference substance (sodium acetate) and a toxicity test were run in parallel. The validity criteria was considered fulfilled. The substance was completely degraded (100%) within the 28 -day period based on BOD (based on measurements of oxygen uptake) and ThOD. Theobromine was considered readily biodegradable.
Reference
Table 1. Sample oxygen uptake: biodegradability
|
time, days |
||||||||||||
3 |
5 |
7 |
9 |
12 |
14 |
16 |
18 |
21 |
23 |
25 |
28 |
||
Test item O2uptake, mg/l |
a1 |
22.1 |
135.6 |
204.7 |
231.8 |
242.0 |
247.1 |
250.3 |
251.7 |
255.9 |
256.0 |
259.1 |
260.8 |
a2 |
17.1 |
135.3 |
201.5 |
229.7 |
245.0 |
249.7 |
253.7 |
256.4 |
260.1 |
262.0 |
264.2 |
270.7 |
|
a3 |
22.0 |
111.6 |
152.9 |
190.5 |
227.4 |
236.8 |
239.2 |
241.3 |
244.9 |
245.0 |
245.8 |
248.0 |
|
am. avg |
20.4 |
127.5 |
186.3 |
217.4 |
238.1 |
244.5 |
247.7 |
249.8 |
253.6 |
254.3 |
256.4 |
259.9 |
|
Blank test O2uptake. mg/l |
b1 |
17.1 |
20.3 |
25.6 |
28.4 |
32.8 |
34.5 |
37.4 |
38.2 |
40.2 |
42.9 |
43.4 |
45.0 |
b2 |
12.1 |
16.6 |
20.7 |
23.3 |
27.1 |
28.1 |
30.7 |
31.9 |
34.2 |
33.8 |
35.5 |
36.6 |
|
b3 |
13.3 |
16.1 |
19.7 |
22.1 |
24.6 |
26.9 |
28.9 |
30.8 |
32.6 |
34.3 |
36.7 |
37.6 |
|
bmavg |
14.2 |
17.7 |
22.0 |
24.6 |
28.2 |
29.8 |
32.3 |
33.7 |
35.7 |
37.0 |
38.5 |
39.7 |
|
Reference item O2uptake. mg/l |
w1 |
|
|
|
|
|
|
|
|
|
|
|
|
w2 |
51.2 |
63.7 |
73.8 |
80.2 |
87.8 |
90.6 |
92.9 |
96.1 |
99.0 |
99.3 |
101.4 |
101.6 |
|
w3 |
49.1 |
61.8 |
70.8 |
76.5 |
82.3 |
87.1 |
87.2 |
90.1 |
93.0 |
92.8 |
96.1 |
95.7 |
|
wm. avg |
50.1 |
62.7 |
72.3 |
78.3 |
85.0 |
88.9 |
90.0 |
93.1 |
96.0 |
96.1 |
98.8 |
98.6 |
|
Toxicity control O2uptake. mg/l |
a4tox1 |
80.7 |
184.2 |
242.8 |
289.7 |
301.6 |
304.9 |
308.0 |
310.6 |
315.9 |
318.1 |
317.5 |
324.0 |
a5tox2 |
76.4 |
181.1 |
253.8 |
291.9 |
308.1 |
316.5 |
321.8 |
324.8 |
333.5 |
335.7 |
338.6 |
343.8 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
toxm. avg |
78.6 |
182.6 |
248.3 |
290.8 |
304.9 |
310.7 |
314.9 |
317.7 |
324.7 |
326.9 |
328.1 |
333.9 |
|
Corrected test item O2uptake, mg/l |
a1- bm |
7.9 |
118.0 |
182.8 |
207.3 |
213.8 |
217.3 |
218.0 |
218.0 |
220.2 |
219.0 |
220.6 |
221.1 |
a2- bm |
2.9 |
117.7 |
179.5 |
205.2 |
216.8 |
219.8 |
221.3 |
222.8 |
224.4 |
225.0 |
225.7 |
231.0 |
|
a3-bm |
7.8 |
94.0 |
130.9 |
165.9 |
199.3 |
207.0 |
206.8 |
207.6 |
209.2 |
208.0 |
207.3 |
208.3 |
|
Reference item % degradation ThOD = 0.78 mgO2/mg C = 100 mg/l |
R1(w2) |
47.4 |
59.0 |
66.4 |
71.3 |
76.5 |
77.9 |
77.6 |
80.0 |
81.1 |
79.9 |
80.6 |
79.3 |
R3(w3) |
44.7 |
56.6 |
62.5 |
66.6 |
69.4 |
73.5 |
70.3 |
72.4 |
73.5 |
71.5 |
73.8 |
71.8 |
|
Rtoxavg |
46.1 |
57.8 |
64.5 |
68.9 |
72.9 |
75.7 |
74.0 |
76.2 |
77.3 |
75.7 |
77.2 |
75.5 |
The result w1is not taken into average value calculations, as it is distinctly lower than other reference item O2uptakes.
The a6tox3 result from flask #12 is not taken into average value calculation, as this flask was withdrawn from test after 14 day incubation to nitrate and nitrite analysis
Description of key information
Key study: OECD Guideline 301F. GLP study. The substance was completely degraded within a 28-day period. Theobromine is regarded as ready biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
Key study: A 28-day ready aerobic biodegradability test was conducted through the manometric respirometry method with theobromine, according to OECD 301F and EC C.4 – D, under GLP conditions. At the 28th day of the test, the degradation of the test item attained 100% based on oxygen uptake and the ThOD. Therefore, the test substance was considered readily biodegradable.
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