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EC number: 942-924-5 | CAS number: -
- 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:
- 28 Jul - 25 Aug 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study with acceptable restrictions: The substance is classified as readily biodegradable in the 10 day window although the 10 day window was not passed.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 310 (Ready Biodegradability - CO2 in Sealed Vessels (Headspace Test)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- - Source of inoculum/activated sludge: obtained from the sewage plant at Hildesheim (Germany), which predominantely treats municipal sewage
- Pretreatment: The activated sludge was washed twice with autoclaved tap water.After the second washing the settled sludge was resuspended in
mineral salts medium and was maintained in an aerobic condition by aeration for 3 hours. Thereafter the sludge was homogenized with a blender . The supernatant was decanted and was maintained in an aerobic condition by aeration with CO2-free air for 4 days. Then it was filtered through a fol ded filter and aeration continued for 1 day until test start. 10 mL/L were used to intiate inoculation.
- Initial cell/biomass concentration: 10E5 - 10E8 CFU/L
- Water filtered: yes
- Type and size of filter used, if any: folded filter - Duration of test (contact time):
- 28 d
- Initial conc.:
- 20 mg/L
- Based on:
- TOC
- Initial conc.:
- 23.5 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- TEST CONDITIONS
- Composition of medium: mineral medium according to guideline
- Test temperature: 20 - 22 °C
- Continuous darkness: yes
TEST SYSTEM
- Culturing apparatus: 120 mL headspace flasks
- Number of culture flasks/concentration: 3 (test end 5 replicates)
- Method used to create aerobic conditions:
- Measuring equipment: Determination of CO2 was carried out by IC analysis with a carbon analyser according to DIN EN 1484
- Other: The test vessels were stirred throught the test (150 - 200 rpm) at low light conditions
SAMPLING
- Sampling frequency: at day 0, 1, 5, 7, 9, 14, 21 and 28
- Sampling method: Sodium hydroxide solution (0.74 mL 7 mol/L solution to 80 mLmedium) was injected to each vessel sampled. The vessels were shaken on an overhead shaker (100 rpm) for 1 h at test temperature. Suitable volumes of the liquid phase were analyzed.
CONTROL AND BLANK SYSTEM
- Abiotic sterile control: yes - Reference substance:
- benzoic acid, sodium salt
- Remarks:
- 17.5 mg TOC/L
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 78
- Sampling time:
- 28 d
- Remarks on result:
- other: CI: 77 - 79%
- Details on results:
- 7d: 52%
14d: 61%
21d: 68% - Results with reference substance:
- The percentage degradation of the functional control reached the pass level of 60% after 4 days and came to 90% after 28 days. The 95% confidence interval on day 28 was 88 - 92%.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable, but failing 10-day window
- Conclusions:
- The test substance reached a biodegradation of 78% in 28 days. The 10-day-window was not passed. However, for substances with different chain lengths the 10-day window should not be used for the interpretation of the results. Therefore, the test substance is judged to be readily biodegradable.
- Executive summary:
The ready biodegradability of the test substance was tested according to OECD guideline 310 under GLP conditions. Non-adapted municipal activated sludge was used as inoculum. The test substance was tested at a concentration of 23.5 mg/L in triplicates.
The 10% level was reached after 2 days and the 60% pass level after 14 days. Thus, the 10-day-window was not achieved (according to biodegradation curve). According to “OECD Guidelines for the testing of chemicals – Revised introduction to the OECD guidelines for testing of chemicals, Section 3 – Part 1: Principles and strategies related to the testing of degradation of organic chemicals degradation” published by OECD (2006) the ready biodegradability data for mixtures should be evaluated carefully. For substances with different chain lengths the 10-day window should not be used for the interpretation of the results. It is possible that a sequential biodegradation took place which might have led to a prolonged lag-Phase and therefore a slower biodegradation period although the test substance was biodegraded in a large amount after the test duration. In this case the pass level can be applied at 28 days. The test substance was biodegraded 78% after 28 days. Therefore, the test substance is readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 28 Jan - 04 Mar 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: ISO 10708 adopted in 1997
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- - Source of inoculum/activated sludge: obtained from the sewage plant at Hildesheim (Germany), which predominantely treats municipal sewage
- Pretreatment: The activated sludge was washed twice with autoclaved tap water. After the second washing the settled sludge was filled up with
mineral salts medium, the sludge was homogenized with a blender for 2 min and filtered through a folded filter. 50 mL/L were used to intiate inoculation.
- Initial cell/biomass concentration: 6.9E8 CFU/L
- Water filtered: yes
- Type and size of filter used, if any: folded filter - Duration of test (contact time):
- 28 d
- Initial conc.:
- 29 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- TEST CONDITIONS
- Composition of medium: mineral medium according to guideline
- Test temperature: 20 - 21 °C
- Continuous darkness: yes
- Other: agitation on rotary shaker (125 - 175 rpm)
TEST SYSTEM
- Culturing apparatus: 300 mL BOD bottles with stoppers
- Number of culture flasks/concentration: 3
- pH: 6.82 - 7.35
- pH adjusted: no
- Measuring equipment: Oximeter , HQ 40d multi
SAMPLING
- Sampling frequency: on day 0, 4, 7, 11, 14, 18, 21, 26 and 28
- Sampling method: Prior to the measurement, each bottle was shaken vigorously by hand for about 30 sec. The oxygen concentration of each incubation vessel was measured successively. Afterwards the BOD bottles were aerated for 15 min and the oxygen concentration was measured again.
CONTROL AND BLANK SYSTEM
- Inoculum blank: yes
- Abiotic sterile control: yes
- Toxicity control: yes - Reference substance:
- benzoic acid, sodium salt
- Remarks:
- 60 mg/L
- Parameter:
- % degradation (O2 consumption)
- Value:
- 49
- Sampling time:
- 28 d
- Details on results:
- 7d: 34%
14d: 43%
21d: 49% - Parameter:
- COD
- Value:
- 3.477 g O2/g test mat.
- Results with reference substance:
- In the case of the functional control, the adaptation phase transformed to a degradation phase after 1 day (degradation > 10 %). The 60 % pass level was reached after 4 days and the biodegradation reached a maximum of 91 % after 28 days.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- inherently biodegradable
- Conclusions:
- The test substance reached the 10 % level after 1 day. The pass level of biodegradation of > 60 % was not reached until day 28. The mean degradation came to a maximum of 49 % after 28 days.
- Executive summary:
The ultimate aerobic biodegradability of the test substance was determined in the Two-Phase Closed Bottle Test with a non adapted activated sludge over a period of 28 days. The study was conducted according to ISO 10708 under GLP conditions. The test substance concentration selected as appropriate was 29 mg/L, corresponding to 5.8 mg test substance per vessel. Accordingly the ThOD was 100.8 mg O2/L in the test vessel. The degradation was followed by measuring the decrease of the dissolved oxygen concen tration. It is expressed as the percentage ThOD and was calculated for each oxygen analysis. In order to check the activity ot the test system , sodium benzoate was used as functional control. The 60 % pass level was reached after 4 days and the biodegradation rea ched a maximum of 91 % after 28 days. In the inhibitory control containing both test and reference substance 56 % degradation occurred within 14 days and 62 % degradation were reached after 28 days. The biodegradation of the reference substance was not inhibited by the test substance. The test substance reached the 10 % level after 1 day. The pass level of biodegradation of > 60 % was not reached until day 28. The mean degradation came to a maximum of 49 % after 28 days.
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model. Calculation for main component of Hydrocarbons, C11-C13 (odd numbered), n-alkanes
- Justification for type of information:
- QSAR prediction: see QMRF and QPRF in overall remarks and executive summary
- Principles of method if other than guideline:
- Calculation based on BIOWIN v4.10, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Details on results:
- For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Interpretation of results:
- readily biodegradable
- Executive summary:
QPRF: BIOWIN v4.10
1.
Substance
See “Test material identity”
2.
General information
2.1
Date of QPRF
See “Data Source (Reference)”
2.2
QPRF author and contact details
See “Data Source (Reference)”
3.
Prediction
3.1
Endpoint
(OECD Principle 1)Endpoint
Biodegradability
Dependent variable
Biodegradability
3.2
Algorithm
(OECD Principle 2)Model or submodel name
BIOWIN
Model version
v. 4.10
Reference to QMRF
QMRF: Estimation of Aerobic Biodegradability using BIOWIN v4.10 (EPI Suite v4.11): BIOWIN1 to BIOWIN6 and Ready Biodegradability Prediction
Predicted value (model result)
See “Results and discussion”
Input for prediction
- Chemical structure via CAS number or SMILES
Descriptor values
- Structure fragments
- Molecular weight
3.3
Applicability domain
(OECD principle 3)Domains (Appendix D, On-Line BIOWIN User’s Guide):
1) Molecular weight
See below (Assessment of estimation domain)
2) Fragments:
See below (Assessment of estimation domain)
3.4
The uncertainty of the prediction
(OECD principle 4)Parameter
BIOWIN model
1
2
3
4
5
6
Total correct
264 / 295
275 / 295
167 / 200
165 / 200
485 / 589
488 / 589
% correct, total
89.5
93.2
83.5
82.5
82.3
82.9
% correct, fast
97.3 (181 / 186)
97.3 (181 / 186)
93.5 (101 / 108)
84.9 (101 / 119)
79.1 (201 / 254)
80.3 (204 / 254)
3.5
The chemical mechanisms according to the model underpinning the predicted result
(OECD principle 5)The chemical structure influences the biodegradability of the substance. Therefore, chemical fragments were selected having a potential effect on biodegradability. In order to be able to predict the biodegradability probability of substances without these specific fragments, the molecular weight was integrated into the models.
References
- US EPA (2012). On-Line BIOWIN User’s Guide.
Assessment of estimation domain (molecular weight, fragments):
Model:
BIOWIN v4.10
Substance:
Undecane
CAS-#:
1120-21-4
SMILES:
C(CCCCCCCCC)C
Molecular weight (g/mol):
156,31
AppendixD - Fragment Coefficients for Biodegradation Models
BIOWIN1 and BIOWIN2: Linear / Non-Linear Biodegradability
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceLinear
Non-linear
Min
Max
No. of compounds in training set containing the fragment
.
Linear C4 terminal chain [CCC-CH3]
0,10843
1,8437
-
3
44
2
Molecular Weight
---
---
31,06
697,7
in range
.
BIOWIN3 and BIOWIN4: Ultimate / Primary biodegradability
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceUltimate
Primary
Min
Max
No. of compounds in training set containing the fragment
.
Linear C4 terminal chain [CCC-CH3]
0,29834
0,26907
-
3
26
2
Molecular Weight
---
---
53,06
697,65
-
in range
.
BIOWIN5 and BIOWIN6: MITI Biodegradability Coefficients (Linear / Non-Linear)
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceLinear
Non-Linear
Min
Max
No. of compounds in training set containing the fragment
.
Methyl [-CH3]
0,000411
0,01942827
-
9
295
2
-CH2- [linear]
0,049416
0,42949426
-
51
214
9
Molecular Weight
---
---
30,02
959,2
-
in range
.
BIOWIN7: Anaerobic Biodegradation Coefficients
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceMin
Max
No. of compounds in training set containing the fragment
Linear C4 terminal chain [CCC-CH3]
-0,317727891
---
-
3
41
2
Methyl [-CH3]
-0,079572183
---
-
4
86
2
-CH2- [linear]
0,025989832
---
-
44
67
9
Molecular Weight
---
---
46,07
885,46
in range
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model. Calculation for main component of Hydrocarbons, C11-C13 (odd numbered), n-alkanes
- Justification for type of information:
- QSAR prediction: see QMRF and QPRF in overall remarks and executive summary
- Principles of method if other than guideline:
- Calculation based on BIOWIN v4.10, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Interpretation of results:
- readily biodegradable
- Executive summary:
QPRF: BIOWIN v4.10
1.
Substance
See “Test material identity”
2.
General information
2.1
Date of QPRF
See “Data Source (Reference)”
2.2
QPRF author and contact details
See “Data Source (Reference)”
3.
Prediction
3.1
Endpoint
(OECD Principle 1)Endpoint
Biodegradability
Dependent variable
Biodegradability
3.2
Algorithm
(OECD Principle 2)Model or submodel name
BIOWIN
Model version
v. 4.10
Reference to QMRF
QMRF: Estimation of Aerobic Biodegradability using BIOWIN v4.10 (EPI Suite v4.11): BIOWIN1 to BIOWIN6 and Ready Biodegradability Prediction
Predicted value (model result)
See “Results and discussion”
Input for prediction
- Chemical structure via CAS number or SMILES
Descriptor values
- Structure fragments
- Molecular weight
3.3
Applicability domain
(OECD principle 3)Domains (Appendix D, On-Line BIOWIN User’s Guide):
1) Molecular weight
See below (Assessment of estimation domain)
2) Fragments:
See below (Assessment of estimation domain)
3.4
The uncertainty of the prediction
(OECD principle 4)Parameter
BIOWIN model
1
2
3
4
5
6
Total correct
264 / 295
275 / 295
167 / 200
165 / 200
485 / 589
488 / 589
% correct, total
89.5
93.2
83.5
82.5
82.3
82.9
% correct, fast
97.3 (181 / 186)
97.3 (181 / 186)
93.5 (101 / 108)
84.9 (101 / 119)
79.1 (201 / 254)
80.3 (204 / 254)
3.5
The chemical mechanisms according to the model underpinning the predicted result
(OECD principle 5)The chemical structure influences the biodegradability of the substance. Therefore, chemical fragments were selected having a potential effect on biodegradability. In order to be able to predict the biodegradability probability of substances without these specific fragments, the molecular weight was integrated into the models.
References
- US EPA (2012). On-Line BIOWIN User’s Guide.
Assessment of estimation domain (molecular weight, fragments):
Model:
BIOWIN v4.10
Substance:
Tridecane
CAS-#:
629-50-5
SMILES:
C(CCCCCCCCCCC)C
Molecular weight (g/mol):
184.37
AppendixD - Fragment Coefficients for Biodegradation Models
BIOWIN1 and BIOWIN2: Linear / Non-Linear Biodegradability
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceLinear
Non-linear
Min
Max
No. of compounds in training set containing the fragment
.
Linear C4 terminal chain [CCC-CH3]
0,10843
1,8437
-
3
44
2
Molecular Weight
---
---
31,06
697,7
in range
.
BIOWIN3 and BIOWIN4: Ultimate / Primary biodegradability
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceUltimate
Primary
Min
Max
No. of compounds in training set containing the fragment
.
Linear C4 terminal chain [CCC-CH3]
0,29834
0,26907
-
3
26
2
Molecular Weight
---
---
53,06
697,65
-
in range
.
BIOWIN5 and BIOWIN6: MITI Biodegradability Coefficients (Linear / Non-Linear)
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceLinear
Non-Linear
Min
Max
No. of compounds in training set containing the fragment
.
Methyl [-CH3]
0,000411
0,01942827
-
9
295
2
-CH2- [linear]
0,049416
0,42949426
-
51
214
11
Molecular Weight
---
---
30,02
959,2
-
in range
.
BIOWIN7: Anaerobic Biodegradation Coefficients
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceMin
Max
No. of compounds in training set containing the fragment
Linear C4 terminal chain [CCC-CH3]
-0,317727891
---
-
3
41
2
Methyl [-CH3]
-0,079572183
---
-
4
86
2
-CH2- [linear]
0,025989832
---
-
44
67
11
Molecular Weight
---
---
46,07
885,46
in range
Referenceopen allclose all
The biodegradation rate of the inhibitory control came to 56 % after 14 days and 62 % deqradation were reached after 28 days. The biodegradation of the reference item was not inhibited by the test substance in the toxicity control.
BIOWIN v4.10 Results
Biowin1 (Linear Model Prediction): Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Days-Weeks
Biowin4 (Primary Biodegradation Timeframe): Days
Biowin5 (MITI Linear Model Prediction): Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
TYPE |
NUM |
Biowin1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Linear C4 terminal chain [CCC-CH3] |
0.1084 |
0.2169 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.0744 |
Const |
* |
Equation Constant |
|
0.7475 |
RESULT |
|
Biowin1 (Linear Biodeg Probability) |
|
0.8900 |
TYPE |
NUM |
Biowin2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Linear C4 terminal chain [CCC-CH3] |
1.8437 |
3.6874 |
MolWt |
* |
Molecular Weight Parameter |
|
-2.2197 |
RESULT |
|
Biowin2 (Non-Linear Biodeg Probability) |
|
0.9888 |
TYPE |
NUM |
Biowin3 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Linear C4 terminal chain [CCC-CH3] |
0.2983 |
0.5967 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.3454 |
Const |
* |
Equation Constant |
|
3.1992 |
RESULT |
|
Biowin3 (Survey Model – Ultimate Biodeg) |
|
3.4504 |
TYPE |
NUM |
Biowin4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Linear C4 terminal chain [CCC-CH3] |
0.2691 |
0.5381 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.2255 |
Const |
* |
Equation Constant |
|
3.8477 |
RESULT |
|
Biowin4 (Survey Model - Primary Biodeg) |
|
4.1604 |
TYPE |
NUM |
Biowin5 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Methyl [-CH3] |
0.0004 |
0.0008 |
Frag |
9 |
-CH2- [linear] |
0.0494 |
0.4447 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.4650 |
Const |
* |
Equation Constant |
|
0.7121 |
RESULT |
|
Biowin5 (MITI Linear Biodeg Probability) |
|
0.6927 |
TYPE |
NUM |
Biowin6 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Methyl [-CH3] |
0.0194 |
0.0389 |
Frag |
9 |
-CH2- [linear] |
0.4295 |
3.8654 |
MolWt |
* |
Molecular Weight Parameter |
|
-4.5126 |
RESULT |
|
Biowin6 (MITI Non-Linear Biodeg Probability) |
|
0.8718 |
BIOWIN v4.10 Results
Biowin1 (Linear Model Prediction): Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Days-Weeks
Biowin4 (Primary Biodegradation Timeframe): Days
Biowin5 (MITI Linear Model Prediction): Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
TYPE |
NUM |
Biowin1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Linear C4 terminal chain [CCC-CH3] |
0.1084 |
0.2169 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.0878 |
Const |
* |
Equation Constant |
|
0.7475 |
RESULT |
|
Biowin1 (Linear Biodeg Probability) |
|
0.8766 |
TYPE |
NUM |
Biowin2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Linear C4 terminal chain [CCC-CH3] |
1.8437 |
3.6874 |
MolWt |
* |
Molecular Weight Parameter |
|
-2.6180 |
RESULT |
|
Biowin2 (Non-Linear Biodeg Probability) |
|
0.9833 |
TYPE |
NUM |
Biowin3 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Linear C4 terminal chain [CCC-CH3] |
0.2983 |
0.5967 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.4074 |
Const |
* |
Equation Constant |
|
3.1992 |
RESULT |
|
Biowin3 (Survey Model – Ultimate Biodeg) |
|
3.3884 |
TYPE |
NUM |
Biowin4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Linear C4 terminal chain [CCC-CH3] |
0.2691 |
0.5381 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.2660 |
Const |
* |
Equation Constant |
|
3.8477 |
RESULT |
|
Biowin4 (Survey Model - Primary Biodeg) |
|
4.1199 |
TYPE |
NUM |
Biowin5 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Methyl [-CH3] |
0.0004 |
0.0008 |
Frag |
9 |
-CH2- [linear] |
0.0494 |
0.5436 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.5485 |
Const |
* |
Equation Constant |
|
0.7121 |
RESULT |
|
Biowin5 (MITI Linear Biodeg Probability) |
|
0.7080 |
TYPE |
NUM |
Biowin6 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
2 |
Methyl [-CH3] |
0.0194 |
0.0389 |
Frag |
9 |
-CH2- [linear] |
0.4295 |
4.7244 |
MolWt |
* |
Molecular Weight Parameter |
|
-5.3225 |
RESULT |
|
Biowin6 (MITI Non-Linear Biodeg Probability) |
|
0.8772 |
Description of key information
Readily biodegradable: 78% in 28 days (OECD 310)
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
- Type of water:
- freshwater
Additional information
Two studies investigating the ready biodegradability of Hydrocarbons, C11-C13 (odd numbered), n-alkanes, <2% aromatics are available. The key study was performed according to OECD guideline 310 under GLP conditions (Fiebig 2010a). Non-adapted municipal activated sludge was used as inoculum. The test substance was applied at a concentration of 23.5 mg/L in triplicates. A biodegradation of 78% was observed after 28 days. The 10% degradation level was reached after 2 days and the 60% degradation level after 14 days. Thus, the 10-day-window was narrowly missed (based on the biodegradation curve). According to “OECD guidelines for the testing of chemicals – Revised introduction to the OECD guidelines for testing of chemicals, Section 3 – Part 1: Principles and strategies related to the testing of degradation of organic chemicals degradation” published by OECD (2006) the ready biodegradability data for mixtures should be evaluated carefully. For substances with different chain lengths the 10-day window should not be used for the interpretation of the results. It is possible that sequential biodegradation caused a prolonged lag-phase and therefore a slower biodegradation period, although the substance was substantially mineralized after the test duration of 28 days. Thus, the pass level at 28 days should be used. Due to a biodegradation of 78% after 28 days, the test substance can be considered as readily biodegradable.
This conclusion is supported by QSAR calculations for the main components tridecane and undecane using BIOWIN v4.10 (BASF 2014a,b). According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For both components the QSAR tool predicted ready biodegradability. In addition, several tests presented in the REACh dossiers of undecane and tridecane, published on the ECHA data base, confirm ready biodegradability of C10 to C14 paraffins. This also strongly supports the ready biodegradability assumption made for Hydrocarbons, C11-C13 (odd numbered), n-alkanes, <2% aromatics (table 1).
Table 1: Biodegradation test results listed in the REACh dossiers of undecane and tridecane
Result |
Test |
Test substance (as cited in RSS) |
83.1% in 28 days, 10d- window passed |
OECD 301F |
normal C13 paraffin |
76.6% in 28 days, 10d-window passed |
OECD 301F |
normal C11 and C12 paraffins |
ca. 80% in 28 days, 10d-window passed |
OECD 301F |
normal C14 paraffin |
ca. 79% in 28 days, 10d-window passed |
OECD 301F |
normal C13 and C14 paraffins |
A second available study was performed according to ISO 10708 under GLP conditions (Fiebig 2010b). The test substance concentration selected as appropriate was 29 mg/L, corresponding to 5.8 mg test substance per vessel. Accordingly the ThOD was 100.8 mg O2/L in the test vessel. The degradation was followed by O2 consumption. The test substance reached the 10 % level after 1 day. The pass level of biodegradation of > 60 % was not reached until day 28. The mean degradation came to a maximum of 49 % after 28 days. It is assumed that adsorption of the substance to the sludge may have hindered the degradation process. Due to the stringent conditions of ready biodegradation tests positive degradation results overrule negative ones, and thus the result of this test is not considered to be relevant for the biodegradation assessment of Hydrocarbons, C11-C13 (odd numbered), n-alkanes, <2% aromatics.
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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