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EC number: 230-660-7 | CAS number: 7250-67-1
- 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:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.3 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 1-(2-chloroethyl)pyrrolidine hydrochloride
- Molecular formula (if other than submission substance): C6H12ClN.ClH
- Molecular weight (if other than submission substance): 170.082 g/mol
- Smiles notation (if other than submission substance): N1(CCCl)CCCC1.CI
- InChI: 1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H
- Substance type: Organic
- Physical state: Solid - 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: BOD
- Value:
- 37.5
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Test substance undergoes 37.5% degradation by BOD parameter in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride was estimated to be not readily biodegradable in water.
- Executive summary:
Biodegradability of 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS no. 7250 -67 -1) is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 37.5% degradation by BOD parameter in 28 days.Thus, based on percentage degradation, the test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride was estimated to be not readily biodegradable in water.
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 ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and "k" )
and "l" )
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines AND Not
categorized by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkyl halide OR No functional
group found OR Pyrrolidine OR Saturated heterocyclic amine OR Saturated
heterocyclic fragment by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkyl halide OR No functional
group found OR Overlapping groups OR Pyrrolidine OR Saturated
heterocyclic amine OR Saturated heterocyclic fragment by Organic
Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Amino, aliphatic attach [-N<] OR Chlorine,
aliphatic attach [-Cl] OR No functional group found by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Alkyl chloride OR Alkyl halide
OR Amine OR Halogen derivative OR Heterocyclic compound OR No functional
group found OR Tertiary aliphatic amine OR Tertiary amine by Organic
functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 17 - Halogens Cl AND Group 17 - Halogens
F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group 1 - Alkali Earth
Li,Na,K,Rb,Cs,Fr OR Group 14 - Metalloids Si,Ge OR Group 15 - Phosphorus
P OR Group 16 - Oxygen O OR Group 16 - Sulfur S OR Group 17 - Halogens
Br OR Group 4 - Trans.Metals Ti,Zr,Hf by Chemical elements
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> Quinones and quinone (di)imines OR Low reactive OR Low reactive >>
Primary haloalkanes by DPRA Cysteine peptide depletion
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Not calculated by Biodeg BioHC
half-life (Biowin) ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 59.1
Da
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 99.2
Da
Description of key information
Biodegradability of 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS no. 7250 -67 -1) is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 37.5% degradation by BOD parameter in 28 days.Thus, based on percentage degradation, the test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride was estimated to be not readily biodegradable in water.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Predicted data for the target compound1-(2-chloroethyl)pyrrolidine hydrochloride (CAS No. 7250-67-1) and various study for its read across substance were reviewed for the biodegradation end point which are summarized as below:
For target chemical 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS no. 7250 -67 -1), biodegradability is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 37.5% degradation by BOD parameter in 28 days. Thus, based on percentage degradation, the test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride was estimated to be not readily biodegradable in water.
In a weight of evidence study from peer reviewed journal (Kenneth S et. al, 1974) for the read across chemical1,2-Dichloroethane (CAS no. 107-06-2), biodegradation experiment was conducted for 20 days for evaluating the percentage biodegradability of read across substance 1,2-Dichloroethane. Initial test substance conc. used in the study was 3, 7 and 10 mg/l, respectively. Domestic wastewater was used as a test inoculum. The BOD bottles were half filled with aerated dilution water containing the specified minerals and buffer. Small aliquots of the test chemicals were added to these bottles from 0.1% stock solutions yielding conc. of 3, 7 and 10 mg/l. At least two of these concentrations were tested in duplicate. These concentrations gave a potential oxygen demand of 3 to 30 mg/l over the 20 days duration of test. Dissolved oxygen was monitored periodically in the individual bottles through the use of a commercial DO meter filled with an agitated probe. The bottles were opened for sampling and DO measurements about five times during the course of the 20 day test. The percentage degradation of read across substance was determined to be 0 and 18% degradation in 5 and 10 days, respectively. Thus, based on percentage degradation, 1,2 -Dichloroethane is considered to be not readily biodegradable in nature.
Another biodegradation study for the same read across substance 1,2 -Dichloroethane (CAS no. 107-06-2) was conducted for 28 days for evaluating the percentage biodegradability of substance 1,2 –Dichloroethane(Milena Eleonore Lapertot, Cesar Pulgarin, 2006). The study was performed according to Manometric respirometry test. Initial test substance conc. used in the study was 50 mg/l. Activated sludge was used as a test inoculum. The inoculum—activated sludge—came from a secondary effluent of the treatment plant of Morges (Switzerland). The fresh sample was centrifuged at 10000 RPM during 7 min at 20°C, and washed once with mineral medium. The average concentration of biomass was 25 mg of suspended solids per liter of mineral nutrient medium. The manometric respirometry test (Directive 92/69/EEC) were executed using a Hg free WTW 2000 Oxitop©unit thermostated at 20°C. Experiments were carried out according to official protocols. This equipment facilitated the manipulation and minimized the quantity of vessels required. Indeed when O2 is consumed, the CO2 produced is trapped by sodium hydroxide pellets and a depression in the bottle is automatically recorded. The volume of the solutions poured in the bottles was determined according to the theoretical oxygen demand without nitrification (ThODNH3 ).28 d test was duplicated. The chemical analyses were replicated thrice. Standard deviation was less than 5%.The percentage degradation of read across substance was determined to be 25% by GC or theoretical oxygen uptake parameter in 26 days. Thus, based on percentage degradation, Dichloroethane is considered to be not readily biodegradable in nature.
In a weight of evidence study, biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance Dichloromethane (CAS no. 75 -09 -2) (Milena Eleonore Lapertot, Cesar Pulgarin, 2006). The study was performed according to Manometric respirometry test. Initial test substance conc. used in the study was 50 mg/l. Activated sludge was used as a test inoculum. The inoculum—activated sludge—came from a secondary effluent of the treatment plant of Morges (Switzerland). The fresh sample was centrifuged at 10000 RPM during 7 min at 20°C, and washed once with mineral medium. The average concentration of biomass was 25 mg of suspended solids per liter of mineral nutrient medium. The manometric respirometry test (Directive 92/69/EEC) were executed using a Hg free WTW 2000 Oxitop©unit thermostated at 20°C. Experiments were carried out according to official protocols. This equipment facilitated the manipulation and minimized the quantity of vessels required. Indeed when O2 is consumed, the CO2 produced is trapped by sodium hydroxide pellets and a depression in the bottle is automatically recorded. The volume of the solutions poured in the bottles was determined according to the theoretical oxygen demand without nitrification (ThODNH3).28 d test was duplicated. The chemical analyses were replicated thrice. Standard deviation was less than 5%. The percentage degradation of read across substance was determined to be 0% by chromatography or theoretical oxygen uptake parameter in 28 days. Thus, based on percentage degradation, Dichloromethane is considered to be not readily biodegradable in nature.
For the same read across chemical Dichloromethane (CAS no. 75 -09 -2) from authoritative database (J-CHECK, 2016), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Dichloromethane. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance was determined to be 13% and 1% by BOD and GC parameter in 28 days. Thus, based on percentage degradation, Dichloromethane is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical 1-(2-chloroethyl)pyrrolidine hydrochloride (fromOECD QSAR toolbox version 3.3, 2017) and for its read across substance (from peer reviewed journals and authoritative database J-CHECK, 2016), it can be concluded that the test substance 1-(2-chloroethyl)pyrrolidine hydrochloride can be expected to be not readily biodegradable in nature.
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