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EC number: 257-840-8 | CAS number: 52314-67-7
- 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 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 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: 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
- Molecular formula: C8H9Cl3O
- Molecular weight: 227.517
- Smiles notation: O=C([C@@H]1C(C)(C)[C@@H]1\C=C(/Cl)Cl)Cl
- InChl: 1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
- Substance type: Organic - 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:
- 14.9
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Test substance undergoes 14.89% degradation by BOD in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test chemical 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride was estimated to be not readily biodegradable in water.
- Executive summary:
Biodegradability of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (CAS no. 52314 -67 -7) is predicted using QSAR toolbox version 3.3 with logKow as the primary descriptor. Test substance undergoes 14.89% degradation by BOD in 28 days.Thus, based on percentage degradation, the test chemical 3-(2,2-dichloroethenyl)-2,2- dimethylcyclopropane-1-carbonyl chloride 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 ("h"
and (
not "i")
)
)
and "j" )
and "k" )
and "l" )
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Acid Chlorides by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acyl halide OR Alkenyl halide OR
Cycloalkane by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acyl halide OR Alkenyl halide OR
Cycloalkane OR Overlapping groups 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 Aliphatic Carbon [-CH3] OR Carbonyl,
aliphatic attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR
Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or
=C<] OR Tertiary Carbon by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acyl chloride OR Acyl halide OR
Carbonic acid derivative OR Carboxylic acid derivative OR CO2 derivative
(general) OR Halogen derivative by Organic functional groups, Norbert
Haider (checkmol) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as weeks - months by Biodeg
ultimate (Biowin 3) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 1) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Metals by Groups of elements
Domain
logical expression index: "j"
Similarity
boundary:Target:
CC1(C)C(C=C(Cl)Cl)C1C(=O)Cl
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Acyl halide AND Alkenyl halide
AND Cycloalkane AND Overlapping groups by Organic Functional groups
(nested) ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acyl halide AND Alkenyl halide
AND Cycloalkane AND Overlapping groups by Organic Functional groups
(nested) ONLY
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 131
Da
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 297
Da
Description of key information
Biodegradability of 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (CAS no. 52314 -67 -7) is predicted using QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 14.89% degradation by BOD in 28 days.Thus, based on percentage degradation, the test chemical 3-(2,2-dichloroethenyl) -2,2- dimethylcyclopropane-1-carbonyl chloride 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
Various predicted data for the target compound 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (CAS No. 52314-67-7) and supporting weight of evidence studies for its closest read across substance with logKow as the primary descriptor were reviewed for the biodegradation end point which are summarized as below:
In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride(CAS No. 52314-67-7) was estimated.Test substance undergoes 14.89% degradation by BOD in 28 days.Thus, based on percentage degradation, the test chemical 3-(2,2-dichloroethenyl)-2,2- dimethylcyclopropane-1-carbonyl chloride was estimated to be not readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound 3 -(2,2 -dichloroethenyl)-2,2 -dimethylcyclopropane-1 -carbonyl chloride(CAS No. 52314-67-7) in the presence of mixed populations of environmental microorganisms was estimated.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 as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride is expected to be not readily biodegradable.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017 and Envichem, 2014) for the read across chemical 2,2,4,4,6,8,8-heptamethylnonane (CAS no. 4390-04-9), biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance 2,2,4,4,6,8,8-heptamethylnonane. 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 substance 2,2,4,4,6,8,8-heptamethylnonane was determined to be 0% by BOD parameter in 14 days. Thus, based on percentage degradation, 2,2,4,4,6,8,8-heptamethylnonane is considered to be not readily biodegradable in nature.
For the another read across chemical 1,1,2-trichloroethene (CAS no. 79-01-6), biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance 1,1,2-trichloroethene (CAS no. 79-01-6) (J-CHECK, 2017). 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 substance 1,1,2 -trichloroethene was determined to be 2.4 and 0% by BOD and GC parameter in 14 days. Thus, based on percentage degradation, 1,1,2 -trichloroethene is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride(from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK and Envichem), it can be concluded that the test substance 3 -(2,2 -dichloroethenyl)-2,2 -dimethylcyclopropane-1 -carbonyl chloride can be expected to be not readily biodegradable in nature.
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