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EC number: 252-091-3 | CAS number: 34562-31-7
- 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: screening test, other
- Type of information:
- (Q)SAR
- Remarks:
- QSAR BIOWINv4.10
- Adequacy of study:
- key study
- 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
- 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:
- 0.132
- Sampling time:
- 28 d
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Remarks:
- Validated QSAR, part of the OECD (Q)SAR Toolbox
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The BIOWIN v4.10 model predicted that the substance is not readily biodegradable. The BIOWIN1 value = 0.5488 was > 0.5 and indicated fast biodegradation. The BIOWIN2 value = 0.2608 was < 0.5 and indicated that the substance does not biodegrade fast. The BIOWIN3 value = 2.4020 indicated a timeframe of weeks to months to ultimate biodegradation, and the BIOWIN4 value of 3.1961 indicated a timeframe of weeks to primary degradation. The BIOWIN5 value = 0.1323 and the BIOWIN6 value = 0.0328 were both less than 0.5, and both indicated the substance is not readily biodegradable. The BIOWIN7 value of -0.7401 was less than 0.5, and indicated that it does not biodegrade fast under anaerobic conditions.
Reference
BIOWIN (v4.10) Program Results:
==============================
SMILES : N(c(cccc1)c1)(C=C(C=C2CC)CC)C2CCC
CHEM : Pyridine, 3,5-diethyl-1,2-dihydro-1-phenyl-2-propylMOL FOR: C18 H25 N1
MOL WT : 255.41
--------------------------- BIOWIN v4.10 Results ----------------------------
Biowin1 (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months
Biowin4 (Primary Biodegradation Timeframe): Weeks
Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Tertiary amine | -0.2053 | -0.2053
Frag | 1 | Unsubstituted phenyl group (C6H5-) | 0.1281 | 0.1281
MolWt| * | Molecular Weight Parameter | | -0.1216
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 0.5488
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Tertiary amine | -2.2229 | -2.2229
Frag | 1 | Unsubstituted phenyl group (C6H5-) | 1.7991 | 1.7991
MolWt| * | Molecular Weight Parameter | | -3.6268
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.2608
============+============================================+=========+=========
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 | 1 | Tertiary amine | -0.2548 | -0.2548
Frag | 1 | Unsubstituted phenyl group (C6H5-) | 0.0220 | 0.0220
MolWt| * | Molecular Weight Parameter | | -0.5644
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.4020
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Tertiary amine | -0.2880 | -0.2880
Frag | 1 | Unsubstituted phenyl group (C6H5-) | 0.0049 | 0.0049
MolWt| * | Molecular Weight Parameter | | -0.3685
Page 6
EPISUite PDHP 031817 (CAS #34562-31-7)
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.1961
============+============================================+=========+=========
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 | 1 | Tertiary amine | -0.0848 | -0.0848
Frag | 5 | Aromatic-H | 0.0082 | 0.0411
Frag | 3 | Methyl [-CH3] | 0.0004 | 0.0012
Frag | 4 | -CH2- [linear] | 0.0494 | 0.1977
Frag | 1 | -CH - [cyclic] | 0.0124 | 0.0124
Frag | 2 | -C=CH [alkenyl hydrogen] | 0.0062 | 0.0124
MolWt| * | Molecular Weight Parameter | | -0.7598
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.1323
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Tertiary amine | -0.8396 | -0.8396
Frag | 5 | Aromatic-H | 0.1201 | 0.6007
Frag | 3 | Methyl [-CH3] | 0.0194 | 0.0583
Frag | 4 | -CH2- [linear] | 0.4295 | 1.7180
Frag | 1 | -CH - [cyclic] | -0.1295 | -0.1295
Frag | 2 | -C=CH [alkenyl hydrogen] | 0.0285 | 0.0570
MolWt| * | Molecular Weight Parameter | | -7.3733
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.0328
============+============================================+=========+=========
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 | 1 | Tertiary amine | -1.0749 | -1.0749
Frag | 1 | Unsubstituted phenyl group (C6H5-) | 0.2182 | 0.2182
Frag | 5 | Aromatic-H | -0.0954 | -0.4772
Frag | 3 | Methyl [-CH3] | -0.0796 | -0.2387
Frag | 4 | -CH2- [linear] | 0.0260 | 0.1040
Frag | 1 | -CH - [cyclic] | 0.0395 | 0.0395
Frag | 2 | -C=CH [alkenyl hydrogen] | -0.0735 | -0.1470
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | -0.7401
============+============================================+=========+=========
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 key study, an EPI Suite BIOWIN v 4.10 (Q)SAR model, predicted that the substance is not readily biodegradable. BIOWIN3 predicted that the substance would undergo ultimate degradation in "weeks to months" and BIOWIN5 predicted that the substance does not biodegrade fast.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
- Type of water:
- freshwater
Additional information
Although the model predicted that the substance is not readily biodegradable, the substance was predicted to "biodegrade fast" by module BIOWIN1. However, modules BIOWIN2, BIOWIN6 and BIOWIN7 each predicted that the substance does not biodegrade fast. The module BIOWIN4 predicted that the substance would undergo primary degradation in "weeks".
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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