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EC number: 206-137-4 | CAS number: 303-26-4
- 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 tests
- Type of information:
- (Q)SAR
- 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 limited documentation / justification
- Justification for type of information:
- The supporting QMRF Report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The prediction was done by using OECD QSAR tool box v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of the test material: 1-[(4-chlorophenyl)(phenyl)methyl]piperazine
- Common Name: Norchlorcyclizine
- IUPAC name: 1-[(4-chlorophenyl)(phenyl)methyl]piperazine
- Molecular weight: 286.804 g/mol
- Molecular formula: C17H19ClN2
- Substance type: Organic
- SMILES Notation: c1([C@@H](c2ccccc2)N2CCNCC2)ccc(Cl)cc1
- InChI: 1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
- Physical State: Solid (white to pale yellow) - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: % biodegradability BOD
- Value:
- 1
- Sampling time:
- 28 d
- Remarks on result:
- other: other details not available
- Details on results:
- Percent biodegradation of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine was determined to be 1 % by considering BOD as parameter in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Percent biodegradation of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine was determined to be 1 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on % biodegrdability value it is concluded that this test chemical in not readily biodegradable.
- Executive summary:
Percent biodegradability of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine (CAS no. 303-26-4) was estimated by using OECD QSAR tool box v3.3 using Log Kow as primary descriptor. Percent biodegradation of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine was determined to be 1 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on % biodegrdability value it is concluded that this test chemical in not readily biodegradable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and "h" )
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and "m" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Secondary amines by OECD HPV
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by US-EPA New
Chemical Categories
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals AND Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes AND SN1 AND SN1 >> Iminium Ion
Formation AND SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
by DNA binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Narcotic Amine by Acute aquatic
toxicity MOA by OASIS
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals AND Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes AND SN1 AND SN1 >> Iminium Ion
Formation AND SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Benzylamines-Acylation OR Michael addition >> Polarised Alkenes-Michael
addition OR Michael addition >> Polarised Alkenes-Michael addition >>
Alpha, beta- unsaturated esters OR No alert found OR Schiff base formers
OR Schiff base formers >> Chemicals Activated by P450 to Glyoxal OR
Schiff base formers >> Chemicals Activated by P450 to Glyoxal >>
Ethanolamines (including morpholine) OR Schiff base formers >> Chemicals
Activated by P450 to Glyoxal >> Ethylenediamines (including piperazine)
OR Schiff base formers >> Chemicals Activated by P450 to Mono-aldehydes
OR Schiff base formers >> Chemicals Activated by P450 to Mono-aldehydes
>> Benzylamines-Schiff base OR Schiff base formers >> Chemicals
Activated by P450 to Mono-aldehydes >> N-methylol derivates OR SN1 >>
Nitrosation-SN1 OR SN1 >> Nitrosation-SN1 >> N-Nitroso-SN1 OR SN2 OR SN2
>> Nitrosation-SN2 OR SN2 >> Nitrosation-SN2 >> Nitroso-SN2 OR SN2 >>
SN2 at an sp3 Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >>
Phosphates by DNA binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 2) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 5) ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Metalloids by Groups of elements
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 160
Da
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 293
Da
Description of key information
Percent biodegradability of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine (CAS no. 303-26-4) was estimated by using OECD QSAR tool box v3.3 using Log Kow as primary descriptor. Percent biodegradation of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine was determined to be 1 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on % biodegrdability value it is concluded that this test chemical in not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Predicted data studies for target chemical chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine (CAS no. 303-26-4)and experimental studies for its read across chemicals have been studied and their results are summarized below for biodegradation water endpoint.
In first weight of evidence study the Percent biodegradability of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine (CAS no. 303-26-4) was estimated by using OECD QSAR tool box v3.3 using Log Kow as primary descriptor. Percent biodegradation of test chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine was determined to be 1 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on % biodegrdability value it is concluded that this test chemical in not readily biodegradable.
Second weight of evidence study was done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound 1-[(4-chlorophenyl)(phenyl)methyl]piperazine (CAS no. 303 -26 -4) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine is expected to be not readily biodegradable.
Next weight of evidence study was done from authoritative database (J Check, 2017) for structurally similar read across chemical in this study the biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance Piperazine (CAS No: 110-85-0).Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance obtained was 1.4% by BOD, 1% by TOC removal and 2.8% by GC parameter in 14 days. Thus, read across substance Piperazine (CAS No: 110-85-0) is considered to be not readily biodegradable in water.
Last weight of evidence study was also done from same source as mentioned above for red across chemical in this study the read across chemical 1-methyl-diethylenediamine(CAS no. 109-01-3) was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using O2 Consumption, DOC removal and test material analysis by HPLC parameters. The initial concentration of read across chemical was 100 mg/L. After 4 weeks (28 days) test chemical showed 0% biodegradation by all three parameters mentioned above so it is concluded that this read across chemical 1-methyl-diethylenediamine is not readily biodegradable.
On the basis of results of above mentioned studies for target chemical 1-[(4-chlorophenyl)(phenyl)methyl]piperazine( from OECD QSAR tool boxv3.3 and EPI suite) and supporting weight of evidence study ( from J Check, 2017). It is concluded that the test chemical1-[(4-chlorophenyl)(phenyl)methyl]piperazine can be expected to be not readily biodegradable.
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