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EC number: 413-750-2 | CAS number: 171090-93-0 ANOX 1315; ANOX BF; DURAD AX 38
- 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
Mode of degradation in actual use
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- mode of degradation in actual use
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Reference
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 29 August 2001 - 26 September 2001
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- GLP compliance:
- yes (incl. QA statement)
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Details on inoculum:
- ACTIVATED SLUDGE
1) Mixed liquor suspended solid (MLSS) : 4500 mg/L
2) Source : Chemical Evaluation and Research Institute, Japan
3) Date of receipt : July 19, 2001 - Duration of test (contact time):
- 28 d
- Initial conc.:
- 30 mg/L
- Based on:
- test mat.
- Remarks:
- measured with HPLC
- Parameter followed for biodegradation estimation:
- DOC removal
- Details on study design:
- The test substance was exposed to the activated sludge in a closed-system oxygen consumption measuring apparatus. The biochemical oxygen demand (BOD) was measured over a 28 day period, After this period, the concentrations of the dissolved organic carbon (DOC) and the residual test substance in the test bottles were measured. The biodegradability of the test substance was evaluated from these results.
ACTIVATED SLUDGE
1) Mixed liquor suspended solid (MLSS) : 4500 mg/L
2) Source : Chemical Evaluation and Research Institute ,Japan
3) Date of receipt : July 19, 2001
EXPOSURE CONDITIONS_
1) Temperature : 25 +/- 1˚C
2) Exposure period : 28 days
3) Test volume : 300 mL
4) Concentration : test substance (bottles 3-6) : 100 mg/L
aniline* (bottle 1) : 100 mg/L
activated sludge (bottles 1-5) : 30 mg/L
* Reference substance : KANTO CHEMICAL Co., INC. Lot No.212G1294
Test bottle contents :
Bottle 1 : Aniline + activated sludge + basal medium 29 µL (30 mg) of aniline was added to the basal medium*, then activated sludge was added.
Bottle 2 : Activated sludge + basal medium
Activated sludge was added to the basal medium**.
Bottles 3-5 : Test substance + activated sludge + basal medium
30 mg of the test substance was added to the basal medium, then activated sludge was added.
Bottle 6 : Test substance + purified water
30 mg of the test substance was added to 300 mL of purified water***.
** The total volume of the basal medium and the sludge was held fixed at 300 mL.
*** Grade A4, Japanese Industrial Standards KO557
BOD MEASUREMENT
The BOD was measured for 28 days
1)Apparatus : closed system oxygen consumption measuring apparatus Ohkura Electric Co., Model OM-2001 (M.S.I. ID NO.D).
pH MEASUREMENT
After the exposure period, 20 mL of the test solution in each test bottle was transferred into a 20-mL glass beaker for pH measurement. After pH measurement, the test solution was returned to each bottle for measurement of residual. test substance concentration.
1)Apparatus : pH meter, ORION Research, Model 720
DOC MEASUREMEN2
The concentration of the DOC was measured as follows.
1 ) Apparatus : TOC analyzer, Shimaclzu Co., model TOC-5000A
2 Conditions : Furnace temperature : 680˚C (TC)
Air flow rate : 250 mL/min.
Sensitivity: x5
Injection volume : 50 ILL
3) Calibration curve
The following standard solutions were injected into the TOC analyzer
The calibration curve was prepared by the data processor of the analyzer.
Standard solutions
TC (total carbon) 20 and 50 mg C/L aqueous solutions of potassium biphthalate.
IC(inorganic carbon) 0 mg C/1 purified water (purified by Milli-Q) and 10 mg C/1 aqueous solution of sodium hydrogen carbonate and sodium carbonate.
4) Measurement of DOC in the bottles
Ten millilitre of the test solution in each bottle was transferred into a 10-mL centrifuge tube and centrifuged at 3000 rpm for 10 minutes. Five millilitre of supernatant was used for the DOC measurement. The remaining supernatant and the precipitate were returned to each bottle for the measurement of the residual test substance concentration. - Reference substance:
- aniline
- Key result
- Parameter:
- other:
- Value:
- >= 11 - <= 48
- Sampling time:
- 28 d
- Remarks on result:
- other: Degradability based on residual test substance
- Details on results:
- OBSERVATION OF TEST BOTTLES AFTER EXPOSURE PERIOD
The solution in the bottles 1 and 5 were cloudy, in the bottles 2, 3, 4 and 6 were colorless. Growth of the sludge was observed in bottle I, in contrast with the control bottle (bottle 2). No growth was observed in bottles 3, 4 and 5.
pH MEASUREMKNT
After 28 days of exposure, the pi1 was determined to be 6.9, 7.1, 6.9 and 8.0 for bottles 3, 4, 5 and 6, respectively.
ACTIVITY OF SLUDGE
The degradability of aniline, based on the BOD measurements was 62 % after 7 days. The activity of the sludge was thus shown to be satisfactory.
DEGRADABILITY BASED ON BOD
BODk1 in bottles 3, 4, and 5 (as corrected with the value in bottle 2) were 6.7, -1.0 and 3.9 mg, and BOD in bottle 6 was 0.0 mg, respectively.
(*I Maximum theoretical value = 88.9 mg)
The degree of degradability based on the BOD measurements were 8, O(ca1culated value = -1) and 4 % for bottles 3, 4, and 5, respectively.
DEGRADABILITY BASED ON DOC
DOC*> in bottles 3, 4 and 5 (as corrected with the value in bottle 2) were 18.0, 3.9, and 23.0 mg/L, respectively. DOC in bottle 6 was 2.0 mg/L.
(*2 Maximum theoretical value = 78.9 mg/L)
Degradability was not calculated because the test substance was insoluble in water.
DEGRADABILITY BASED ON THE RESIDUAL TEST SUBSTANCE CONCENTRATION
The test substance*' was detected at concentrations of 67.2, 91.8, 53.5 are 103.6 mg/L in bottles 3, 4, 5 and 6, respectively.
(*3 Initial concentration = 100 mg/l)
The degree of degradability based on the residual test substance concentration was calculated to be 35, 11 and 48 for bottles 3, 4 and 5, respectively.
A new peak was detected on the HPLC chromatograms for bottles 3-5 with retention time of about 2.2 min. - Key result
- Parameter:
- BOD5
- Value:
- >= 0 - <= 8 other: mg/L
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- From the degradability results based on the BOD and the residual test substance concentration, it is concluded that the test substance was not readily biodegradable under the conditions of this test.
As a new peak was detected on the HPLC chromatograms for bottles 3-5, it is suggested that the test substance has been transformed during the exposure period. - Executive summary:
The test substance was exposed to the activated sludge in a closed-system oxygen consumption measuring apparatus. The biochemical oxygen demand (BOD) was measured over a 28 day period, After this period, the concentrations of the dissolved organic carbon (DOC) and the residual test substance in the test bottles were measured. The biodegradability of the test substance was evaluated from these results. Study was conducted in accordance with "Ready biodegradability, Modified MITI test" in OECD Guidelines for Testing of Chemicals No. 301C.
Results of the study are summarised as follows:
Measured values (day 28)
Bottle No.
3*
4*
5*
6
Theoretical value
BOD (mg)
6.7
-1.0
3.9
0.0
88.9
DOC (mg/L)
18.0
3.9
23.0
2.0
78.9
Test substance (mg/L)
67.2
91.8
53.5
103.6
100.0
* value corrected with BOD or DOC value of Bottle 2.
Degradabilities (%)
Bottle No.
3
4
5
Average
BOD
8
0 (-1)**
4
4
DOC
NA***
NA***
NA***
-
Test substance
35
11
48
31
** where % degradability was calculated to be negative, this value is shown in parentheses.
*** degradability was not calculated because the test substance was insoluble in water.
From the degradability results based on the BOD and the residual test substance concentration, it is concluded that the test substance was not readily biodegradable under the conditions of this test. As a new peak was detected on the HPLC chromatograms for bottles 3-5, it is suggested that the test substance has been transformed during the exposure
SUMMARY OF DOC MEASUREMENT
Degradability based on BOD
Bottle No. |
Test substance |
ThOD mg |
Day 7 |
Day 14 |
Day 21 |
Day 28 |
||||
BOD mg |
% degradability |
BOD mg |
% degradability |
BOD mg |
% degradability |
BOD mg |
% degradability |
|||
1 |
Aniline |
90.2 |
59.7 |
62 |
70.5 |
71 |
71.1 |
71 |
71.1 |
71 |
2 |
- |
- |
3.6 |
- |
6.3 |
- |
6.8 |
- |
6.7 |
- |
3 |
ANOX BF |
88.9 |
3.4 |
0 |
6.3 |
0 |
7.0 |
0 |
13.4 |
8 |
4 |
ANOX BF |
88.9 |
2.1 |
0 (-2) |
5.2 |
0 (-1) |
5.8 |
0 (-1) |
5.7 |
0 (-1) |
5 |
ANOX BF |
88.9 |
2.1 |
0 (-2) |
4.7 |
0 (-2) |
5.0 |
0 (-2) |
10.6 |
4 |
6 |
ANOX BF |
88.9 |
0.0 |
- |
0.0 |
- |
0.0 |
- |
0.0 |
- |
Where % degradability was calculated to be negative, this value is shown in parentheses
pH measurement
Bottle No. |
pH |
|
Day 0 |
Day 28 |
|
1 |
- |
7.7 |
2 |
7.0 |
7.1 |
3 |
- |
6.9 |
4 |
- |
7.1 |
5 |
- |
6.9 |
6 |
7.9 |
8.0 |
Results of DOC measurement
Bottle No. |
Organic carbon |
DOC mg/L |
2 |
- |
1.1 |
3 |
78.9 |
19.1 |
4 |
78.9 |
5.0 |
5 |
78.9 |
24.1 |
6 |
78.9 |
2.0 |
Degradability based on residual test substance
Bottle No. |
Concentration mg/L |
Degradability % |
2 |
< 1 |
- |
3 |
67.2 |
35 |
4 |
91.8 |
11 |
5 |
53.5 |
48 |
6 |
103.6 |
- |
RESULT OF DOC MEASUREMENT
|
Bottle 2 |
Bottle 3 |
Bottle 4 |
Bottle 5 |
Bottle 6 |
Calibration curve |
||||||
|
TC |
TC |
TC |
TC |
TC |
TC standard area |
||||||
|
Area |
mg/L |
Area |
mg/L |
Area |
mg/L |
Area |
mg/L |
Area |
mg/L |
20 mg/L |
50 mg/L |
Measure 1 |
878 |
1.279 |
13457 |
19.610 |
3618 |
5.271 |
16743 |
24.390 |
1400 |
2.040 |
13860 |
34435 |
Measure 2 |
893 |
1.301 |
13159 |
19.170 |
3585 |
5.223 |
16689 |
24.310 |
1378 |
2.008 |
13880 |
34437 |
Measure 3 |
892 |
1.300 |
13423 |
19.560 |
3586 |
5.225 |
16905 |
24.630 |
1401 |
2.041 |
13968 |
34610 |
Mean |
888 |
1.293 |
13346 |
19.447 |
3596 |
5.240 |
16779 |
24.443 |
1393 |
2.030 |
13909 |
34494 |
|
Bottle 2 |
Bottle 3 |
Bottle 4 |
Bottle 5 |
Bottle 6 |
Calibration curve |
||||||
|
IC |
IC |
IC |
IC |
IC |
IC standard area |
||||||
|
Area |
mg/L |
Area |
mg/L |
Area |
mg/L |
Area |
mg/L |
Area |
mg/L |
0 mg/L |
10 mg/L |
Measure 1 |
111 |
0.157 |
260 |
0.368 |
175 |
0.248 |
227 |
0.321 |
0 |
0 |
0 |
7034 |
Measure 2 |
145 |
0.205 |
262 |
0.371 |
186 |
0.263 |
242 |
0.343 |
0 |
0 |
0 |
7072 |
Measure 3 |
126 |
0.178 |
275 |
0.389 |
205 |
0.290 |
229 |
0.324 |
0 |
0 |
0 |
7082 |
Mean |
127 |
0.180 |
266 |
0.376 |
189 |
0.267 |
233 |
0.329 |
0 |
0 |
0 |
7063 |
|
TC (mg/L) |
IC (mg/L) |
TOC (mg/L) |
Bottle 2 |
1.293 |
0.180 |
1.113 |
Bottle 3 |
19.447 |
0.376 |
19.071 |
Bottle 4 |
5.240 |
0.267 |
4.973 |
Bottle 5 |
24.443 |
0.329 |
24.114 |
Bottle 6 |
2.030 |
0.000 |
2.030 |
TOC-5000A Conditions
TC Furnace Temp. : 680°C
TC Catalyst: 25L
Springe Size: Normal
Measurement Mode: TOC
Air flow r a t e: 150 ml/min
No of Injects: 3
Range: x 5
Inj vol: 50µL
CALCULATION OF RECOVERY AND DETECTION LIMIT
|
Peak area mAb.sec (A) |
Concentration in solution mg/L |
Recovered mass mg (D) |
Added mass mg (E) |
Recovery & (F) |
Detection limit mg/L (G) |
|
|
For HPLC analysis (B) |
In bottle (C) |
|||||
Recovery test 1 |
4413292 |
1433.4 |
95.6 |
28.7 |
30.0 |
96 |
- |
Recovery test 2 |
4529207 |
1471.0 |
98.1 |
29.4 |
30.0 |
98 |
- |
Blank |
<2000 |
<0.7 |
<0.1 |
- |
0.0 |
- |
1 |
|
|
|
|
|
|
Average recovery = 97% |
|
Standard solution
Concentration (H) : 1500 mg/L
Peak area (I) : 4618494 mAbs. sec
Volume of solution for HPLC analysis (J) : 0.020 L
Volume of test solution for HPLC analysis (K) : 0.300 L
Volume of test solution in bottle (L) : 0.300 L
Equation: B = H x A ÷ I C = H x A ÷ I x J ÷ K D = C x L F = D ÷ E x 100 G: raise decimal fractions to units
Calculation of the detection limit
Retention time (min) |
1500 mg/L std. |
Blank |
|
Peak area mAb. sec |
Rate of peak area (%) |
Peak area mAb. sec |
|
2.5 |
275638 |
6.0 |
- |
5.7 |
116385 |
2.5 |
- |
6.3 |
129733 |
2.8 |
- |
7.0 |
2325708 |
50.4 |
< 1000 |
7.9 |
1771030 |
38.3 |
- |
Total |
4618494 |
100.0 |
< 2000 |
The minimum detectable peak area of the test substance was calculated by the following equation based on the minimum detectable peak area of 1000 mAbs-sec for the largest peak (retention time 7.0 min. ) in HPLC chromatogram.
Minimum detectable peak area (mAbs. sec) 4618494 x (1000 (mAbs-sec) ÷ 2325708 (dbs. sec) = 1986 (mAbs-sec) (< 2000 (mAbs.sec))
RESIDUAL TEST SUBSTANCE CONCENTRATION IN TEST BOTTLE
Bottle No. |
Peak area mAb. sec (A) |
Concentration in solution (mg/L) |
|
For HPLC analysis (B) |
In bottle (C) |
||
2 |
< 2000 |
< 0.7 |
< 1 |
3 |
3146970 |
977.9 |
67.2 |
4 |
4299421 |
1336.1 |
91.8 |
5 |
2506017 |
778.8 |
53.5 |
6 |
4849234 |
1506.9 |
103.6 |
Standard solution
Concentration (D) : 1500 mg/L
Peak area (E) : 4826956 mAbs. sec
Volume of solution for HPLC analysis (F) : 0.020 L
Volume of test solution for HPLC analysis (G) : 0.300 L
Average recovery (H) : 97%
Equation: B = D x A ÷ E C = D x A ÷ E x F ÷ G ÷ H x 100
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Guideline:
- other: The transformed product was analyzed by high performance liquid chromatography - mass spectrometry (LC-MS) to estimate the structure.
- Principles of method if other than guideline:
- ESTIMATION OF THE TRANSFORMED PRODUCT BY LC-MS
The test solution for measurement of the residual test substance was analyzed by LC-MS under the following conditions.
6.1 CONDITIONS OF LC-MS
1)Apparatus : LC-MS: Agilent Technologies Model 1100 (ID No.1)
Binary Pump : Agilent Technologies Model G1312A
Auto Injector : Agilent Technologies Model G1313A
UV-VIS Detector: Agilent Technologies Model G1315B
Column Oven : Agilent Technologies Model G1316A
Degasser : Agilent Technologies Model G1322A
Mass spectrometer: Agilent Technologies Model G1946D
Workstation : Agilent 1100 series Chemistation(Windows NT)
2)HPLC Conditions
Column : GL Science Co. Inertsil ODs-3, 2.1 mm i.d.X 150 mm
Mobile phase : Acetonitrile : Formic acid buffer* = 97 : 3
Flow rate : 0.4 ml/min.
Wavelength : 240 nm
Injection volume : 5 p1
Oven temperature : 40 "C
* 20 mM Ammonium formate : Formic acid = 1000 : 1
3) Mass conditions
Ionization : API-ES
Fragmentor : lOOV
Nebulizer : N2 (30psi)
Drying gas : N2 (lO.OL/min, 300°C)
Polarity : Negative
Mode : scan
Mass range : m/z 100-500 - GLP compliance:
- no
- Type of study / information:
- LC-MS assessment of transformation product.
Test material
- Test material form:
- liquid
- Details on test material:
- Batch* : Lot No. 010009POI
Purity* : 97.3 % ( Impurity : Benzenepropanoic acid, 3,5-bis (1,1-dimethylethyl) -4-hydroxy, methylester 2.66 % )
Appearance : Clear yellow viscous liquid
Date of receipt : June 12, 2001
Constituent 1
- Specific details on test material used for the study:
- As above.
Results and discussion
Any other information on results incl. tables
A peak derived from transformed product was detected at the retention time of approximately 1.2 minutes under the conditions of ESI negative mode on the HPLC chromatograms of bottles 3, 4 and 5. The molecular ion peak of m/z 277 (M-H) was detected on the MS Spectra. From these results, the structure of the transformed product was estimated to be 3-[3,5-Bis(tert-butyl)-4-hydroxyphenyl]propionic acid, MW 278.39. Image as below.
Applicant's summary and conclusion
- Conclusions:
- A peak derived from transformed product was detected at the retention time of approximately 1.2 minutes under the conditions of ESI negative mode on the HPLC chromatograms of bottles 3, 4 and 5. The molecular ion peak of m/z 277 (M-H) was detected on the MS Spectra. From these results, the structure of the transformed product was estimated to be 3-[3,5-Bis(tert-butyl)-4-hydroxyphenyl]propionic acid, MW 278.39. Image as above.
- Executive summary:
The structure of the transformed product was estimated to be 3-[3,5-Bis(tert-butyl)-4-hydroxyphenyl]propionic acid, MW 278.39
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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