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EC number: - | 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:
- weight of evidence
- Study period:
- 14 November 2017 to 15 January 2018
- Reliability:
- 1 (reliable without restriction)
- Justification for type of information:
- Reliable experimental study following OECD 301 guidelines (1992) and EC No. 440/2008 Method C.4-C adopted 2008 and GLP standards.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Version / remarks:
- 1992
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.4-C (Determination of the "Ready" Biodegradability - Carbon Dioxide Evolution Test)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- The test substance is listed as ATHC. The test substance is a pale yellow slightly viscous liquid. The test substance was obtained from the Sponsor, Vertellus Holdings LLC and stored at room temperature in the dark.
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic (adaptation not specified)
- Details on inoculum:
- A mixed population of activated sewage sludge micro-organisms was obtained on 13 November 2017 from the aeration stage of the Severn Trent Water Plc sewage treatment plant at Loughborough, Leicestershire, UK, which treats predominantly domestic sewage.
- Duration of test (contact time):
- 60 d
- Initial conc.:
- 15.6 mg/L
- Based on:
- test mat.
- Initial conc.:
- 10 mg/L
- Based on:
- TOC
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- The test item, at a concentration of 10 mg carbon/L, was exposed to activated sewage sludge micro-organisms with mineral medium in sealed culture vessels in the dark at measured temperatures of between 20 and 24 °C for 60 days. At the request of the Sponsor the study was extended from 28 to 60 days. The biodegradation of the test item was assessed by the determination of carbon dioxide produced. Control solutions with inoculum and the reference item, sodium benzoate, together with a toxicity control were used for validation purposes.
- Reference substance:
- benzoic acid, sodium salt
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 26
- Sampling time:
- 28 d
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 42
- Sampling time:
- 60 d
- Details on results:
- The test item attained 26% biodegradation after 28 days and 42% biodegradation after 60 days and therefore cannot be considered to be readily biodegradable under the strict terms and conditions of OECD Guideline No. 301B.
- Validity criteria fulfilled:
- yes
- Remarks:
- IC content < 5% (protocol ≤ 5%); CO2 emitted by controls 33.52 mg/L (protocol <70 mg/L; difference reps. <20% (protocol ≤20 %); degradation positive control 80% at 14 d (protocol ≤14 d to achieve >60%); degradation toxicity d 14, 49% (protocol > 25%).
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test item attained 26% biodegradation after 28 days and 42% biodegradation after 60 days and therefore cannot be considered to be readily biodegradable under the strict terms and conditions of OECD Guideline No. 301B.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Remarks:
- (Q)SAR BIOWINv4.10
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Modeling report of BIOWIN v4.10, a model contained within EPI-Suite version 4.1, a reliable (Q)SAR model.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- BIOWIN v4.10 a model with U.S. EPA's EPI-Suite, a reliable QSAR model included in the OECD QSAR Toolbox.
- GLP compliance:
- no
- Remarks:
- Not Applicable.
- Parameter followed for biodegradation estimation:
- other:
- Remarks:
- (Q)SAR Model biodegradation prediction.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks:
- BIOWIN5 Value
- Value:
- > 0.5
- Sampling time:
- 28 d
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Remarks:
- BIOWIN 5 prediction of 1.5486 is > 0.5, indicating that the substance biodegrades fast.
- Validity criteria fulfilled:
- yes
- Remarks:
- Validated QSAR, part of the OECD (Q)SAR Toolbox
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The BIOWIN v4.10 model predicted that the substance is readily biodegradable. The BIOWIN1 value = 1.3539 and the BIOWIN2 value = 1.000 were both greater than 0.5 and indicated fast biodegradation. The BIOWIN3 value = 3.3675 indicated a timeframe of days to weeks to ultimate biodegradation, and the BIOWIN4 value of 4.7152 indicated a timeframe of hours to days to primary degradation. The BIOWIN5 value = 1.5486 and the BIOWIN6 value = 0.9976 were both greater than 0.5, and both indicated the substance is readily biodegradable. The BIOWIN7 value of 0.35961 was less than 0.5, and indicated that it does not biodegrade fast under anaerobic conditions.
Referenceopen allclose all
BIOWIN (v4.10) Program Results:
==============================
SMILES : O=C(C(CC(=O)OCCCCCC)(CC(=O)OCCCCCC)OC(=O)C)OCCCCCC
CHEM : 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl ester
MOL FOR: C26 H46 O8
MOL WT : 486.65
--------------------------- 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): Hours-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 | 3 | Linear C4 terminal chain [CCC-CH3] | 0.1084 | 0.3253
Frag | 4 | Ester [-C(=O)-O-C] | 0.1742 | 0.6967
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.1839 | -0.1839
MolWt| * | Molecular Weight Parameter | | -0.2317
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 1.3539
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Linear C4 terminal chain [CCC-CH3] | 1.8437 | 5.5311
Frag | 4 | Ester [-C(=O)-O-C] | 4.0795 | 16.3180
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -1.7232 | -1.7232
MolWt| * | Molecular Weight Parameter | | -6.9105
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 1.0000
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Linear C4 terminal chain [CCC-CH3] | 0.2983 | 0.8950
Frag | 4 | Ester [-C(=O)-O-C] | 0.1402 | 0.5608
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.2121 | -0.2121
MolWt| * | Molecular Weight Parameter | | -1.0754
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 3.3675
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Linear C4 terminal chain [CCC-CH3] | 0.2691 | 0.8072
Frag | 4 | Ester [-C(=O)-O-C] | 0.2290 | 0.9158
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.1534 | -0.1534
MolWt| * | Molecular Weight Parameter | | -0.7021
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 4.7152
============+============================================+=========+=========
Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks
(Primary & Ultimate) 2.00 -> months 1.00 -> longer
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 4 | Ester [-C(=O)-O-C] | 0.3437 | 1.3749
Frag | 1 | Carbon with 4 single bonds & no hydrogens | 0.0676 | 0.0676
Frag | 4 | Methyl [-CH3] | 0.0004 | 0.0016
Frag | 17 | -CH2- [linear] | 0.0494 | 0.8401
MolWt| * | Molecular Weight Parameter | | -1.4478
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 1.5486
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 4 | Ester [-C(=O)-O-C] | 2.4462 | 9.7846
Frag | 1 | Carbon with 4 single bonds & no hydrogens | 0.3990 | 0.3990
Frag | 4 | Methyl [-CH3] | 0.0194 | 0.0777
Frag | 17 | -CH2- [linear] | 0.4295 | 7.3014
MolWt| * | Molecular Weight Parameter | |-14.0490
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.9976
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Linear C4 terminal chain [CCC-CH3] | -0.3177 | -0.9532
Frag | 4 | Ester [-C(=O)-O-C] | 0.1719 | 0.6874
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.3342 | -0.3342
Frag | 4 | Methyl [-CH3] | -0.0796 | -0.3183
Frag | 17 | -CH2- [linear] | 0.0260 | 0.4418
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.3596
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
Ready Biodegradability Prediction: (YES or NO)
Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey
model) result is "weeks" or faster (i.e. "days", "days to weeks", or
"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then
the prediction is YES (readily biodegradable). If this condition is not
satisfied, the prediction is NO (not readily biodegradable). This method
is based on application of Bayesian analysis to ready biodegradation data
(see Help). Biowin5 and 6 also predict ready biodegradability, but for
degradation in the OECD301C test only; using data from the Chemicals
Evaluation and Research Institute Japan (CERIJ) database.
Description of key information
The test substance has been shown to exhibit inherent, primary degradability and significant mineralisation in the environment, based on a weight-of-evidence demonstration. Although the substance did not exhibit ready degradability in a CO2 evolution test conducted in accordance with OECD Guideline 301B, degradation rates of 26% in 28 days and 42% in 60 days were observed. In accordance with ECHA guidance, the observed degradation rate is evidence of inherent, primary degradability (i.e., degradation of 20% or more in a biodegradability assay) and significant mineralisation (>40% degradation). Additionally, a validated QSAR model (EPI Suite BIOWIN 4.10) predicted that the substance is readily biodegradable, based on two modules within the model: BIOWIN 3, which predicts ultimate degradation of the substance in the timeframe of “days-weeks”, and BIOWIN 5, which predicts that the substance “biodegrades fast” with a probability > 0.5. Three additional modules within the model (BIOWIN 1, BIOWIN 2 and BIOWIN 6) predict that the substance “biodegrades fast”; one module (BIOWIN 4) predicts that primary degradation occurs within the timeframe of “hours-days”. Thus, the substance exhibits inherent, primary degradability in a laboratory test and is not refractory to ultimate degradation as indicated by QSAR predictions based on structural components of the substance. Therefore, although the substance has not been shown to be readily biodegradable and may exhibit limited persistence in the environment, there are no structural impediments to its aerobic degradation and has been shown to undergo significant mineralisation under strict conditions. Therefore, the substance is not expected to be highly persistent in the environment based on multiple lines of evidence.
Key value for chemical safety assessment
- Biodegradation in water:
- inherently biodegradable
- Type of water:
- freshwater
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.